N-(5-methylheptan-3-yl)-N-propylpiperidin-3-amine

C16H34N2 — CID 63636390

IUPACN-(5-methylheptan-3-yl)-N-propylpiperidin-3-amine
SMILESCCCN(C1CCCNC1)C(CC)CC(C)CC
InChIInChI=1S/C16H34N2/c1-5-11-18(16-9-8-10-17-13-16)15(7-3)12-14(4)6-2/h14-17H,5-13H2,1-4H3
InChIKeyJYWVCXJDDPWBMB-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.67
Rot. Bonds8

About N-(5-methylheptan-3-yl)-N-propylpiperidin-3-amine

N-(5-methylheptan-3-yl)-N-propylpiperidin-3-amine (PubChem CID 63636390) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N-(5-methylheptan-3-yl)-N-propylpiperidin-3-amine.

Molecular Properties

Compound NameN-(5-methylheptan-3-yl)-N-propylpiperidin-3-amine
PubChem CID63636390
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN-(5-methylheptan-3-yl)-N-propylpiperidin-3-amine
SMILESCCCN(C1CCCNC1)C(CC)CC(C)CC
InChIInChI=1S/C16H34N2/c1-5-11-18(16-9-8-10-17-13-16)15(7-3)12-14(4)6-2/h14-17H,5-13H2,1-4H3
InChIKeyJYWVCXJDDPWBMB-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[piperidin-3-yl(propyl)amino]pentanenitrile
CID 63636452
N-butan-2-yl-N-butylazepan-3-amine
CID 62641187
N-[1-(2-bromophenyl)ethyl]-N-propylpiperidin-3-amine
CID 63637762
N-(1-phenylpropyl)-N-propylpiperidin-3-amine
CID 63638122
N-(2-methylpentan-3-yl)-N-propylpyrrolidin-3-amine
CID 63300198
N-(1-cyclopropylpropyl)-N-ethylpiperidin-3-amine
CID 64917233
4-[1-[piperidin-3-yl(propyl)amino]ethyl]phenol
CID 63636728
N-[1-[4-(dimethylamino)phenyl]ethyl]-N-propylpiperidin-3-amine
CID 63638109
N-ethyl-N-(3-methylbutan-2-yl)piperidin-3-amine
CID 63644152
N-ethyl-N-propylpiperidin-3-amine
CID 43317075
N-(ethylcarbamoyl)-2-[piperidin-3-yl(propyl)amino]propanamide
CID 63637325
N-hexan-3-yl-N-propylcyclopentanamine
CID 130409572

Frequently Asked Questions

What is the IUPAC name of N-(5-methylheptan-3-yl)-N-propylpiperidin-3-amine?
The IUPAC name of N-(5-methylheptan-3-yl)-N-propylpiperidin-3-amine (CID 63636390) is N-(5-methylheptan-3-yl)-N-propylpiperidin-3-amine.
What is the SMILES notation for N-(5-methylheptan-3-yl)-N-propylpiperidin-3-amine?
The canonical SMILES for N-(5-methylheptan-3-yl)-N-propylpiperidin-3-amine is CCCN(C1CCCNC1)C(CC)CC(C)CC.
What is the InChIKey of N-(5-methylheptan-3-yl)-N-propylpiperidin-3-amine?
The InChIKey is JYWVCXJDDPWBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-5-11-18(16-9-8-10-17-13-16)15(7-3)12-14(4)6-2/h14-17H,5-13H2,1-4H3.
What are the key properties of N-(5-methylheptan-3-yl)-N-propylpiperidin-3-amine?
N-(5-methylheptan-3-yl)-N-propylpiperidin-3-amine has a molecular weight of 254.46 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylheptan-3-yl)-N-propylpiperidin-3-amine is sourced from PubChem (CID 63636390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).