N-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)propan-2-amine

C17H34N2 — CID 106624258

IUPACN-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)propan-2-amine
SMILESCC(C)N(CC1CCCCCC1)CC1CCCNC1
InChIInChI=1S/C17H34N2/c1-15(2)19(14-17-10-7-11-18-12-17)13-16-8-5-3-4-6-9-16/h15-18H,3-14H2,1-2H3
InChIKeyKHZJXIPLIKPKKW-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.67
Rot. Bonds5

About N-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)propan-2-amine

N-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)propan-2-amine (PubChem CID 106624258) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is N-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)propan-2-amine
PubChem CID106624258
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC NameN-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)propan-2-amine
SMILESCC(C)N(CC1CCCCCC1)CC1CCCNC1
InChIInChI=1S/C17H34N2/c1-15(2)19(14-17-10-7-11-18-12-17)13-16-8-5-3-4-6-9-16/h15-18H,3-14H2,1-2H3
InChIKeyKHZJXIPLIKPKKW-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine;hydrochloride
CID 119930509
2-methoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine
CID 103815885
1-cyclohexyl-N-methyl-N-(piperidin-3-ylmethyl)methanamine;hydrochloride
CID 119930005
3-[piperidin-3-ylmethyl(propan-2-yl)amino]propanenitrile
CID 80554495
N-(piperidin-3-ylmethyl)-N-propan-2-ylpent-3-yn-1-amine
CID 106638166
1-cyclohexyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylmethanesulfonamide
CID 106630965
N-(piperidin-3-ylmethyl)-N-[2-(trifluoromethoxy)ethyl]propan-2-amine
CID 106637776
N-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106625038
1-cyclohexyl-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride
CID 120857850
3-cyclohexyl-1-(piperidin-3-ylmethyl)-1-propan-2-ylurea
CID 106629886
N-[(4-bromothiophen-2-yl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624142
N-(cyclopropylmethyl)-2-[piperidin-3-ylmethyl(propan-2-yl)amino]acetamide
CID 106637630

Frequently Asked Questions

What is the IUPAC name of N-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)propan-2-amine?
The IUPAC name of N-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)propan-2-amine (CID 106624258) is N-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)propan-2-amine.
What is the SMILES notation for N-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)propan-2-amine?
The canonical SMILES for N-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)propan-2-amine is CC(C)N(CC1CCCCCC1)CC1CCCNC1.
What is the InChIKey of N-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)propan-2-amine?
The InChIKey is KHZJXIPLIKPKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-15(2)19(14-17-10-7-11-18-12-17)13-16-8-5-3-4-6-9-16/h15-18H,3-14H2,1-2H3.
What are the key properties of N-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)propan-2-amine?
N-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)propan-2-amine has a molecular weight of 266.47 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)propan-2-amine is sourced from PubChem (CID 106624258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).