N-[2-[(cyclopropylamino)methyl]cyclobutyl]-N-methylcycloheptanamine

C16H30N2 — CID 80999025

IUPACN-[2-[(cyclopropylamino)methyl]cyclobutyl]-N-methylcycloheptanamine
SMILESCN(C1CCCCCC1)C1CCC1CNC1CC1
InChIInChI=1S/C16H30N2/c1-18(15-6-4-2-3-5-7-15)16-11-8-13(16)12-17-14-9-10-14/h13-17H,2-12H2,1H3
InChIKeyOHSKXUZNIFARLC-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.17
Rot. Bonds5

About N-[2-[(cyclopropylamino)methyl]cyclobutyl]-N-methylcycloheptanamine

N-[2-[(cyclopropylamino)methyl]cyclobutyl]-N-methylcycloheptanamine (PubChem CID 80999025) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is N-[2-[(cyclopropylamino)methyl]cyclobutyl]-N-methylcycloheptanamine.

Molecular Properties

Compound NameN-[2-[(cyclopropylamino)methyl]cyclobutyl]-N-methylcycloheptanamine
PubChem CID80999025
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC NameN-[2-[(cyclopropylamino)methyl]cyclobutyl]-N-methylcycloheptanamine
SMILESCN(C1CCCCCC1)C1CCC1CNC1CC1
InChIInChI=1S/C16H30N2/c1-18(15-6-4-2-3-5-7-15)16-11-8-13(16)12-17-14-9-10-14/h13-17H,2-12H2,1H3
InChIKeyOHSKXUZNIFARLC-UHFFFAOYSA-N
XLogP3.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(cyclopropylamino)methyl]cyclobutyl]-N,1-dimethylpiperidin-4-amine
CID 80997684
N-[2-[(cyclopropylamino)methyl]cyclobutyl]-N,1-dimethylpiperidin-3-amine
CID 80998463
N-methyl-N-[2-[(propan-2-ylamino)methyl]cyclobutyl]cyclopentanamine
CID 80999304
N-butan-2-yl-2-[(cyclopropylamino)methyl]-N-methylcyclobutan-1-amine
CID 80999784
1-[[[2-[(cyclopropylamino)methyl]cyclobutyl]-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105418059
2-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)cyclobutan-1-amine
CID 80998923
2-[(cyclopropylamino)methyl]-N-ethyl-N-propan-2-ylcyclobutan-1-amine
CID 80998217
4-N-cyclooctyl-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 79122769
N-[2-(ethylaminomethyl)cyclobutyl]-N,3-dimethylcyclohexan-1-amine
CID 80998764
2-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methylcyclobutan-1-amine
CID 80999921
N-cyclobutyl-N-methylcyclohexanamine
CID 90984290
N-[(2-methylcyclopentyl)methyl]cyclooctanamine
CID 107417462

Frequently Asked Questions

What is the IUPAC name of N-[2-[(cyclopropylamino)methyl]cyclobutyl]-N-methylcycloheptanamine?
The IUPAC name of N-[2-[(cyclopropylamino)methyl]cyclobutyl]-N-methylcycloheptanamine (CID 80999025) is N-[2-[(cyclopropylamino)methyl]cyclobutyl]-N-methylcycloheptanamine.
What is the SMILES notation for N-[2-[(cyclopropylamino)methyl]cyclobutyl]-N-methylcycloheptanamine?
The canonical SMILES for N-[2-[(cyclopropylamino)methyl]cyclobutyl]-N-methylcycloheptanamine is CN(C1CCCCCC1)C1CCC1CNC1CC1.
What is the InChIKey of N-[2-[(cyclopropylamino)methyl]cyclobutyl]-N-methylcycloheptanamine?
The InChIKey is OHSKXUZNIFARLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-18(15-6-4-2-3-5-7-15)16-11-8-13(16)12-17-14-9-10-14/h13-17H,2-12H2,1H3.
What are the key properties of N-[2-[(cyclopropylamino)methyl]cyclobutyl]-N-methylcycloheptanamine?
N-[2-[(cyclopropylamino)methyl]cyclobutyl]-N-methylcycloheptanamine has a molecular weight of 250.43 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(cyclopropylamino)methyl]cyclobutyl]-N-methylcycloheptanamine is sourced from PubChem (CID 80999025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).