N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-methylidenebutan-1-amine

C16H22N2 — CID 138643387

IUPACN-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-methylidenebutan-1-amine
SMILESC=C(CC)CN[C@H](C)Cc1c[nH]c2ccccc12
InChIInChI=1S/C16H22N2/c1-4-12(2)10-17-13(3)9-14-11-18-16-8-6-5-7-15(14)16/h5-8,11,13,17-18H,2,4,9-10H2,1,3H3/t13-/m1/s1
InChIKeyPRPMRAPAODOWRF-CYBMUJFWSA-N
MW242.37 g/mol
LogP3.65
Rot. Bonds6

About N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-methylidenebutan-1-amine

N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-methylidenebutan-1-amine (PubChem CID 138643387) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-methylidenebutan-1-amine.

Molecular Properties

Compound NameN-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-methylidenebutan-1-amine
PubChem CID138643387
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC NameN-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-methylidenebutan-1-amine
SMILESC=C(CC)CN[C@H](C)Cc1c[nH]c2ccccc12
InChIInChI=1S/C16H22N2/c1-4-12(2)10-17-13(3)9-14-11-18-16-8-6-5-7-15(14)16/h5-8,11,13,17-18H,2,4,9-10H2,1,3H3/t13-/m1/s1
InChIKeyPRPMRAPAODOWRF-CYBMUJFWSA-N
XLogP3.65
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N'-[1-(1H-indol-3-yl)propan-2-yl]ethane-1,2-diamine
CID 3497526
2,2-difluoro-N-[1-(1H-indol-3-yl)propan-2-yl]butan-1-amine
CID 162616789
3-[(2R)-2,3-dimethylbut-3-enyl]-1H-indole;molecular hydrogen
CID 145378179
2,2-difluoro-3-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]amino]propan-1-ol
CID 121410502
(2R)-1-(1H-indol-3-yl)-N-(oxetan-3-ylmethyl)propan-2-amine
CID 131965234
N-[1-(1H-indol-3-yl)propan-2-yl]butanamide
CID 5022905
methyl 3-[1-(1H-indol-3-yl)propan-2-ylamino]-2-methylpropanoate
CID 146188971
1-(1H-indol-3-yl)-3-methylbut-3-en-2-amine
CID 130443458
(2R)-N-(1H-indol-3-ylmethyl)butan-2-amine
CID 92864086
N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]cyclopropanamine
CID 95732551
(2R)-1-(1H-indol-3-yl)-N-(1,2,2-trifluoroethyl)propan-2-amine
CID 175501585
[2-[[(2S)-1-(1H-indol-3-yl)propan-2-yl]amino]-2-oxoethyl]azanium
CID 6929476

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-methylidenebutan-1-amine?
The IUPAC name of N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-methylidenebutan-1-amine (CID 138643387) is N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-methylidenebutan-1-amine.
What is the SMILES notation for N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-methylidenebutan-1-amine?
The canonical SMILES for N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-methylidenebutan-1-amine is C=C(CC)CN[C@H](C)Cc1c[nH]c2ccccc12.
What is the InChIKey of N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-methylidenebutan-1-amine?
The InChIKey is PRPMRAPAODOWRF-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22N2/c1-4-12(2)10-17-13(3)9-14-11-18-16-8-6-5-7-15(14)16/h5-8,11,13,17-18H,2,4,9-10H2,1,3H3/t13-/m1/s1.
What are the key properties of N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-methylidenebutan-1-amine?
N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-methylidenebutan-1-amine has a molecular weight of 242.37 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-methylidenebutan-1-amine is sourced from PubChem (CID 138643387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).