1-(4,4-dimethylcycloheptyl)-N-methylpyrrolidin-3-amine

C14H28N2 — CID 115300022

IUPAC1-(4,4-dimethylcycloheptyl)-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(C2CCCC(C)(C)CC2)C1
InChIInChI=1S/C14H28N2/c1-14(2)8-4-5-13(6-9-14)16-10-7-12(11-16)15-3/h12-13,15H,4-11H2,1-3H3
InChIKeyNKOYIEXPNQSTKE-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.64
Rot. Bonds2

About 1-(4,4-dimethylcycloheptyl)-N-methylpyrrolidin-3-amine

1-(4,4-dimethylcycloheptyl)-N-methylpyrrolidin-3-amine (PubChem CID 115300022) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-(4,4-dimethylcycloheptyl)-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(4,4-dimethylcycloheptyl)-N-methylpyrrolidin-3-amine
PubChem CID115300022
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name1-(4,4-dimethylcycloheptyl)-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(C2CCCC(C)(C)CC2)C1
InChIInChI=1S/C14H28N2/c1-14(2)8-4-5-13(6-9-14)16-10-7-12(11-16)15-3/h12-13,15H,4-11H2,1-3H3
InChIKeyNKOYIEXPNQSTKE-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cycloheptyl-N-methylpyrrolidin-3-amine
CID 43315596
1-(4,4-dimethylcycloheptyl)-N,4-dimethylpiperidin-4-amine
CID 113282880
1-cyclooctyl-N-methylpiperidin-3-amine
CID 62536163
ethane;N-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-6-amine
CID 170747754
(3R)-1-(4,4-dimethylcyclohexyl)pyrrolidin-3-amine
CID 131065558
N-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidin-3-amine
CID 113281847
1-[1-(4,4-dimethylcycloheptyl)piperidin-4-yl]ethanamine
CID 65085464
1-(3,3-dimethylcyclobutyl)-N-methylpiperidin-4-amine
CID 130865497
1-[(1S)-3,3-dimethylcyclohexyl]-4-methylpiperidine
CID 70971560
1-(1,1-dioxothiolan-3-yl)-N-methylpyrrolidin-3-amine
CID 43315217
N-methyl-1-(3,3,5-trimethylcyclohexyl)piperidin-3-amine
CID 62534250
2-[1-(4,4-dimethylcycloheptyl)piperidin-4-yl]acetic acid
CID 79605937

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylcycloheptyl)-N-methylpyrrolidin-3-amine?
The IUPAC name of 1-(4,4-dimethylcycloheptyl)-N-methylpyrrolidin-3-amine (CID 115300022) is 1-(4,4-dimethylcycloheptyl)-N-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-(4,4-dimethylcycloheptyl)-N-methylpyrrolidin-3-amine?
The canonical SMILES for 1-(4,4-dimethylcycloheptyl)-N-methylpyrrolidin-3-amine is CNC1CCN(C2CCCC(C)(C)CC2)C1.
What is the InChIKey of 1-(4,4-dimethylcycloheptyl)-N-methylpyrrolidin-3-amine?
The InChIKey is NKOYIEXPNQSTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-14(2)8-4-5-13(6-9-14)16-10-7-12(11-16)15-3/h12-13,15H,4-11H2,1-3H3.
What are the key properties of 1-(4,4-dimethylcycloheptyl)-N-methylpyrrolidin-3-amine?
1-(4,4-dimethylcycloheptyl)-N-methylpyrrolidin-3-amine has a molecular weight of 224.39 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylcycloheptyl)-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 115300022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).