N-(cyclopropylmethyl)-N-propylazepan-4-amine

C13H26N2 — CID 63902557

IUPACN-(cyclopropylmethyl)-N-propylazepan-4-amine
SMILESCCCN(CC1CC1)C1CCCNCC1
InChIInChI=1S/C13H26N2/c1-2-10-15(11-12-5-6-12)13-4-3-8-14-9-7-13/h12-14H,2-11H2,1H3
InChIKeyNXALUIXMCDHVFQ-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.25
Rot. Bonds5

About N-(cyclopropylmethyl)-N-propylazepan-4-amine

N-(cyclopropylmethyl)-N-propylazepan-4-amine (PubChem CID 63902557) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-propylazepan-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-propylazepan-4-amine
PubChem CID63902557
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN-(cyclopropylmethyl)-N-propylazepan-4-amine
SMILESCCCN(CC1CC1)C1CCCNCC1
InChIInChI=1S/C13H26N2/c1-2-10-15(11-12-5-6-12)13-4-3-8-14-9-7-13/h12-14H,2-11H2,1H3
InChIKeyNXALUIXMCDHVFQ-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(oxolan-3-ylmethyl)-N-propylpiperidin-4-amine
CID 61312064
3-methyl-N-(piperidin-4-ylmethyl)-N-propylcyclopentan-1-amine
CID 79715188
N-ethyl-4-methyl-N-(piperidin-4-ylmethyl)cycloheptan-1-amine
CID 79715542
N-[(2-methylcyclopropyl)methyl]-N-propylpiperidin-4-amine;hydrochloride
CID 120835502
N-(oxolan-2-ylmethyl)-N-propylpiperidin-4-amine
CID 60806655
4-[[cyclopropyl(propyl)amino]methyl]cyclohexan-1-amine
CID 60850888
N-(oxolan-3-ylmethyl)-N-propylpiperidin-3-amine
CID 63638803
N'-cyclopropyl-N,N-dimethyl-N'-(piperidin-4-ylmethyl)ethane-1,2-diamine
CID 79714194
4-[cyclopropylmethyl(propyl)amino]cyclohexan-1-ol
CID 114762423
N-(cyclopropylmethyl)-1-methyl-N-propylpiperidin-4-amine
CID 30983644
N-(piperidin-4-ylmethyl)-N-propylbicyclo[4.1.0]heptan-2-amine
CID 112740312
N-ethyl-N-[(3-methylcyclohexyl)methyl]azepan-4-amine;hydrochloride
CID 120844767

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-propylazepan-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-N-propylazepan-4-amine (CID 63902557) is N-(cyclopropylmethyl)-N-propylazepan-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-propylazepan-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-N-propylazepan-4-amine is CCCN(CC1CC1)C1CCCNCC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-propylazepan-4-amine?
The InChIKey is NXALUIXMCDHVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-2-10-15(11-12-5-6-12)13-4-3-8-14-9-7-13/h12-14H,2-11H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-N-propylazepan-4-amine?
N-(cyclopropylmethyl)-N-propylazepan-4-amine has a molecular weight of 210.36 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-propylazepan-4-amine is sourced from PubChem (CID 63902557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).