N-ethyl-4-methyl-N-(piperidin-4-ylmethyl)cycloheptan-1-amine

C16H32N2 — CID 79715542

IUPACN-ethyl-4-methyl-N-(piperidin-4-ylmethyl)cycloheptan-1-amine
SMILESCCN(CC1CCNCC1)C1CCCC(C)CC1
InChIInChI=1S/C16H32N2/c1-3-18(13-15-9-11-17-12-10-15)16-6-4-5-14(2)7-8-16/h14-17H,3-13H2,1-2H3
InChIKeyURTJIGHWGGLARP-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.28
Rot. Bonds4

About N-ethyl-4-methyl-N-(piperidin-4-ylmethyl)cycloheptan-1-amine

N-ethyl-4-methyl-N-(piperidin-4-ylmethyl)cycloheptan-1-amine (PubChem CID 79715542) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N-ethyl-4-methyl-N-(piperidin-4-ylmethyl)cycloheptan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-N-(piperidin-4-ylmethyl)cycloheptan-1-amine
PubChem CID79715542
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN-ethyl-4-methyl-N-(piperidin-4-ylmethyl)cycloheptan-1-amine
SMILESCCN(CC1CCNCC1)C1CCCC(C)CC1
InChIInChI=1S/C16H32N2/c1-3-18(13-15-9-11-17-12-10-15)16-6-4-5-14(2)7-8-16/h14-17H,3-13H2,1-2H3
InChIKeyURTJIGHWGGLARP-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-methyl-N-(piperidin-4-ylmethyl)azepan-4-amine
CID 79715823
N-ethyl-N-[(3-methylcyclohexyl)methyl]azepan-4-amine;hydrochloride
CID 120844767
N-ethyl-N-(pyrrolidin-3-ylmethyl)cyclopropanamine
CID 62372474
N-ethyl-N-(pyrrolidin-3-ylmethyl)cyclohexanamine
CID 56831738
N-ethyl-N-[[(3S)-pyrrolidin-3-yl]methyl]cyclohexanamine
CID 86323570
N-ethyl-2,3-dimethyl-N-(piperidin-4-ylmethyl)cyclohexan-1-amine
CID 79715470
N-ethyl-N-(piperidin-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 79715457
N,N-diethyl-4-methylcycloheptan-1-amine;hydrofluoride
CID 23299105
3-methyl-N-(piperidin-4-ylmethyl)-N-propylcyclopentan-1-amine
CID 79715188
N-(cyclopropylmethyl)-N-propylazepan-4-amine
CID 63902557
N-cyclopropyl-3-methyl-N-(piperidin-4-ylmethyl)cyclohexan-1-amine
CID 79716087
N-ethyl-N-[(2-methylpiperidin-4-yl)methyl]cyclopropanamine
CID 106740869

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-N-(piperidin-4-ylmethyl)cycloheptan-1-amine?
The IUPAC name of N-ethyl-4-methyl-N-(piperidin-4-ylmethyl)cycloheptan-1-amine (CID 79715542) is N-ethyl-4-methyl-N-(piperidin-4-ylmethyl)cycloheptan-1-amine.
What is the SMILES notation for N-ethyl-4-methyl-N-(piperidin-4-ylmethyl)cycloheptan-1-amine?
The canonical SMILES for N-ethyl-4-methyl-N-(piperidin-4-ylmethyl)cycloheptan-1-amine is CCN(CC1CCNCC1)C1CCCC(C)CC1.
What is the InChIKey of N-ethyl-4-methyl-N-(piperidin-4-ylmethyl)cycloheptan-1-amine?
The InChIKey is URTJIGHWGGLARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-3-18(13-15-9-11-17-12-10-15)16-6-4-5-14(2)7-8-16/h14-17H,3-13H2,1-2H3.
What are the key properties of N-ethyl-4-methyl-N-(piperidin-4-ylmethyl)cycloheptan-1-amine?
N-ethyl-4-methyl-N-(piperidin-4-ylmethyl)cycloheptan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-N-(piperidin-4-ylmethyl)cycloheptan-1-amine is sourced from PubChem (CID 79715542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).