N,2-dimethyl-N-[3-(1-propan-2-ylpiperidin-4-yl)propyl]butan-1-amine

C17H36N2 — CID 170039726

IUPACN,2-dimethyl-N-[3-(1-propan-2-ylpiperidin-4-yl)propyl]butan-1-amine
SMILESCCC(C)CN(C)CCCC1CCN(C(C)C)CC1
InChIInChI=1S/C17H36N2/c1-6-16(4)14-18(5)11-7-8-17-9-12-19(13-10-17)15(2)3/h15-17H,6-14H2,1-5H3
InChIKeyPKFDLTXPBOACMZ-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.86
Rot. Bonds8

About N,2-dimethyl-N-[3-(1-propan-2-ylpiperidin-4-yl)propyl]butan-1-amine

N,2-dimethyl-N-[3-(1-propan-2-ylpiperidin-4-yl)propyl]butan-1-amine (PubChem CID 170039726) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is N,2-dimethyl-N-[3-(1-propan-2-ylpiperidin-4-yl)propyl]butan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[3-(1-propan-2-ylpiperidin-4-yl)propyl]butan-1-amine
PubChem CID170039726
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC NameN,2-dimethyl-N-[3-(1-propan-2-ylpiperidin-4-yl)propyl]butan-1-amine
SMILESCCC(C)CN(C)CCCC1CCN(C(C)C)CC1
InChIInChI=1S/C17H36N2/c1-6-16(4)14-18(5)11-7-8-17-9-12-19(13-10-17)15(2)3/h15-17H,6-14H2,1-5H3
InChIKeyPKFDLTXPBOACMZ-UHFFFAOYSA-N
XLogP3.86
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[methyl-[3-(1-propan-2-ylpiperidin-4-yl)propyl]amino]methanethiol
CID 170057835
N-methyl-N-propan-2-yl-3-(1-propan-2-ylpiperidin-4-yl)propan-1-amine
CID 170195980
N-ethyl-2-methyl-N-[3-(1-propan-2-ylpiperidin-4-yl)propyl]propan-1-amine
CID 167231530
N-ethyl-N-methyl-2-(1-propan-2-ylpiperidin-4-yl)ethanamine
CID 176717350
4-octyl-1-propan-2-ylpiperidine
CID 167231286
N-propan-2-yl-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]butan-2-amine
CID 178057630
1-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperazine
CID 155184379
1-[2-[methyl(2-methylbutyl)amino]ethyl]piperidin-4-amine
CID 79328509
ethane;1-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperazine
CID 155702616
N',2-dimethyl-N'-[2-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine
CID 115198906
2-(cyclopropylamino)-2-methyl-5-[methyl(2-methylbutyl)amino]pentan-1-ol
CID 64797672
N-(3-bromopropyl)-N,2-dimethylbutan-1-amine
CID 61288758

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[3-(1-propan-2-ylpiperidin-4-yl)propyl]butan-1-amine?
The IUPAC name of N,2-dimethyl-N-[3-(1-propan-2-ylpiperidin-4-yl)propyl]butan-1-amine (CID 170039726) is N,2-dimethyl-N-[3-(1-propan-2-ylpiperidin-4-yl)propyl]butan-1-amine.
What is the SMILES notation for N,2-dimethyl-N-[3-(1-propan-2-ylpiperidin-4-yl)propyl]butan-1-amine?
The canonical SMILES for N,2-dimethyl-N-[3-(1-propan-2-ylpiperidin-4-yl)propyl]butan-1-amine is CCC(C)CN(C)CCCC1CCN(C(C)C)CC1.
What is the InChIKey of N,2-dimethyl-N-[3-(1-propan-2-ylpiperidin-4-yl)propyl]butan-1-amine?
The InChIKey is PKFDLTXPBOACMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-6-16(4)14-18(5)11-7-8-17-9-12-19(13-10-17)15(2)3/h15-17H,6-14H2,1-5H3.
What are the key properties of N,2-dimethyl-N-[3-(1-propan-2-ylpiperidin-4-yl)propyl]butan-1-amine?
N,2-dimethyl-N-[3-(1-propan-2-ylpiperidin-4-yl)propyl]butan-1-amine has a molecular weight of 268.49 g/mol, XLogP of 3.86, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[3-(1-propan-2-ylpiperidin-4-yl)propyl]butan-1-amine is sourced from PubChem (CID 170039726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).