cis-(1S,2R)-N-[(2S)-4-(1H-indol-3-yl)-4-methylpentan-2-yl]-2-methoxycyclopentan-1-amine

C20H30N2O — CID 124724954

IUPACcis-(1S,2R)-N-[(2S)-4-(1H-indol-3-yl)-4-methylpentan-2-yl]-2-methoxycyclopentan-1-amine
SMILESCO[C@@H]1CCC[C@@H]1N[C@@H](C)CC(C)(C)c1c[nH]c2ccccc12
InChIInChI=1S/C20H30N2O/c1-14(22-18-10-7-11-19(18)23-4)12-20(2,3)16-13-21-17-9-6-5-8-15(16)17/h5-6,8-9,13-14,18-19,21-22H,7,10-12H2,1-4H3/t14-,18-,19+/m0/s1
InChIKeyATOQGYVKUHKFHI-ZOCIIQOWSA-N
MW314.47 g/mol
LogP4.38
Rot. Bonds6

About cis-(1S,2R)-N-[(2S)-4-(1H-indol-3-yl)-4-methylpentan-2-yl]-2-methoxycyclopentan-1-amine

cis-(1S,2R)-N-[(2S)-4-(1H-indol-3-yl)-4-methylpentan-2-yl]-2-methoxycyclopentan-1-amine (PubChem CID 124724954) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is cis-(1S,2R)-N-[(2S)-4-(1H-indol-3-yl)-4-methylpentan-2-yl]-2-methoxycyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1S,2R)-N-[(2S)-4-(1H-indol-3-yl)-4-methylpentan-2-yl]-2-methoxycyclopentan-1-amine
PubChem CID124724954
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Namecis-(1S,2R)-N-[(2S)-4-(1H-indol-3-yl)-4-methylpentan-2-yl]-2-methoxycyclopentan-1-amine
SMILESCO[C@@H]1CCC[C@@H]1N[C@@H](C)CC(C)(C)c1c[nH]c2ccccc12
InChIInChI=1S/C20H30N2O/c1-14(22-18-10-7-11-19(18)23-4)12-20(2,3)16-13-21-17-9-6-5-8-15(16)17/h5-6,8-9,13-14,18-19,21-22H,7,10-12H2,1-4H3/t14-,18-,19+/m0/s1
InChIKeyATOQGYVKUHKFHI-ZOCIIQOWSA-N
XLogP4.38
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze cis-(1S,2R)-N-[(2S)-4-(1H-indol-3-yl)-4-methylpentan-2-yl]-2-methoxycyclopentan-1-amine with MolForge

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Related Compounds

(2R)-1-[[4-(1H-indol-3-yl)-4-methylpentan-2-yl]amino]-3-methoxypropan-2-ol
CID 119052552
N-(1H-indol-3-ylmethyl)-2-methoxycyclopentan-1-amine
CID 55062011
9-hydroxy-10-[[4-(1H-indol-3-yl)-4-methylpentan-2-yl]amino]-1,3-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
CID 69230337
N-[2-(1H-indol-3-yl)-2-methylpropyl]cyclohexanecarboxamide
CID 113084050
2-methoxy-N-propan-2-ylcyclopentan-1-amine
CID 62088372
2-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]propanenitrile
CID 115130659
N'-[2-(1H-indol-3-yl)-2-methylpropyl]ethane-1,2-diamine
CID 115195611
N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]cyclopropanamine
CID 95732551
2-methoxy-N-[1-(2-methoxyphenyl)propyl]cyclopentan-1-amine
CID 62086587
2-fluoro-2-(1H-indol-3-yl)propan-1-amine
CID 83853895
2-amino-3-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]propan-1-ol
CID 115121040
2-(1H-indol-3-yl)propan-2-amine
CID 18668060

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-[(2S)-4-(1H-indol-3-yl)-4-methylpentan-2-yl]-2-methoxycyclopentan-1-amine?
The IUPAC name of cis-(1S,2R)-N-[(2S)-4-(1H-indol-3-yl)-4-methylpentan-2-yl]-2-methoxycyclopentan-1-amine (CID 124724954) is cis-(1S,2R)-N-[(2S)-4-(1H-indol-3-yl)-4-methylpentan-2-yl]-2-methoxycyclopentan-1-amine.
What is the SMILES notation for cis-(1S,2R)-N-[(2S)-4-(1H-indol-3-yl)-4-methylpentan-2-yl]-2-methoxycyclopentan-1-amine?
The canonical SMILES for cis-(1S,2R)-N-[(2S)-4-(1H-indol-3-yl)-4-methylpentan-2-yl]-2-methoxycyclopentan-1-amine is CO[C@@H]1CCC[C@@H]1N[C@@H](C)CC(C)(C)c1c[nH]c2ccccc12.
What is the InChIKey of cis-(1S,2R)-N-[(2S)-4-(1H-indol-3-yl)-4-methylpentan-2-yl]-2-methoxycyclopentan-1-amine?
The InChIKey is ATOQGYVKUHKFHI-ZOCIIQOWSA-N. The full InChI is InChI=1S/C20H30N2O/c1-14(22-18-10-7-11-19(18)23-4)12-20(2,3)16-13-21-17-9-6-5-8-15(16)17/h5-6,8-9,13-14,18-19,21-22H,7,10-12H2,1-4H3/t14-,18-,19+/m0/s1.
What are the key properties of cis-(1S,2R)-N-[(2S)-4-(1H-indol-3-yl)-4-methylpentan-2-yl]-2-methoxycyclopentan-1-amine?
cis-(1S,2R)-N-[(2S)-4-(1H-indol-3-yl)-4-methylpentan-2-yl]-2-methoxycyclopentan-1-amine has a molecular weight of 314.47 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-[(2S)-4-(1H-indol-3-yl)-4-methylpentan-2-yl]-2-methoxycyclopentan-1-amine is sourced from PubChem (CID 124724954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).