cis-(1S,3R)-N-tert-butyl-3-(4-methylpiperazin-1-yl)cyclopentan-1-amine

C14H29N3 — CID 66602932

IUPACcis-(1S,3R)-N-tert-butyl-3-(4-methylpiperazin-1-yl)cyclopentan-1-amine
SMILESCN1CCN([C@@H]2CC[C@H](NC(C)(C)C)C2)CC1
InChIInChI=1S/C14H29N3/c1-14(2,3)15-12-5-6-13(11-12)17-9-7-16(4)8-10-17/h12-13,15H,5-11H2,1-4H3/t12-,13+/m0/s1
InChIKeyJWNJHORMCZKLHX-QWHCGFSZSA-N
MW239.41 g/mol
LogP1.54
Rot. Bonds2

About cis-(1S,3R)-N-tert-butyl-3-(4-methylpiperazin-1-yl)cyclopentan-1-amine

cis-(1S,3R)-N-tert-butyl-3-(4-methylpiperazin-1-yl)cyclopentan-1-amine (PubChem CID 66602932) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is cis-(1S,3R)-N-tert-butyl-3-(4-methylpiperazin-1-yl)cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1S,3R)-N-tert-butyl-3-(4-methylpiperazin-1-yl)cyclopentan-1-amine
PubChem CID66602932
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Namecis-(1S,3R)-N-tert-butyl-3-(4-methylpiperazin-1-yl)cyclopentan-1-amine
SMILESCN1CCN([C@@H]2CC[C@H](NC(C)(C)C)C2)CC1
InChIInChI=1S/C14H29N3/c1-14(2,3)15-12-5-6-13(11-12)17-9-7-16(4)8-10-17/h12-13,15H,5-11H2,1-4H3/t12-,13+/m0/s1
InChIKeyJWNJHORMCZKLHX-QWHCGFSZSA-N
XLogP1.54
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-methyl-3-(4-methylpiperazin-1-yl)cyclohexan-1-amine
CID 70920710
cis-(1R,3S)-N-tert-butyl-3-(4-fluoro-4-methylpiperidin-1-yl)cyclohexan-1-amine
CID 66603187
3-(4-methyl-1,4-diazepan-1-yl)-N-propylcyclopentan-1-amine
CID 79642937
N,8-ditert-butyl-8-azabicyclo[3.2.1]octan-3-amine
CID 134411103
4-(4-methylpiperazin-1-yl)-N-propan-2-ylcyclohexan-1-amine
CID 67476033
1-N,4-N-ditert-butylcyclohexane-1,4-diamine
CID 59732223
trans-(1R,3R)-N,N-dimethyl-3-(4-methylpiperazin-1-yl)cyclopentan-1-amine
CID 66635602
N-tert-butylcyclopropanamine;hydrochloride
CID 55284152
N-tert-butyl-1-methylpyrrolidin-3-amine;ethane
CID 167501392
tert-butyl N-[(1S)-3-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]carbamate
CID 70920720
ethane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
CID 144911273
1-(4-iodocyclohexyl)-4-methylpiperazine
CID 134444835

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-N-tert-butyl-3-(4-methylpiperazin-1-yl)cyclopentan-1-amine?
The IUPAC name of cis-(1S,3R)-N-tert-butyl-3-(4-methylpiperazin-1-yl)cyclopentan-1-amine (CID 66602932) is cis-(1S,3R)-N-tert-butyl-3-(4-methylpiperazin-1-yl)cyclopentan-1-amine.
What is the SMILES notation for cis-(1S,3R)-N-tert-butyl-3-(4-methylpiperazin-1-yl)cyclopentan-1-amine?
The canonical SMILES for cis-(1S,3R)-N-tert-butyl-3-(4-methylpiperazin-1-yl)cyclopentan-1-amine is CN1CCN([C@@H]2CC[C@H](NC(C)(C)C)C2)CC1.
What is the InChIKey of cis-(1S,3R)-N-tert-butyl-3-(4-methylpiperazin-1-yl)cyclopentan-1-amine?
The InChIKey is JWNJHORMCZKLHX-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H29N3/c1-14(2,3)15-12-5-6-13(11-12)17-9-7-16(4)8-10-17/h12-13,15H,5-11H2,1-4H3/t12-,13+/m0/s1.
What are the key properties of cis-(1S,3R)-N-tert-butyl-3-(4-methylpiperazin-1-yl)cyclopentan-1-amine?
cis-(1S,3R)-N-tert-butyl-3-(4-methylpiperazin-1-yl)cyclopentan-1-amine has a molecular weight of 239.41 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-N-tert-butyl-3-(4-methylpiperazin-1-yl)cyclopentan-1-amine is sourced from PubChem (CID 66602932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).