N-propan-2-yl-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]butan-2-amine

C17H36N2 — CID 178057630

IUPACN-propan-2-yl-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]butan-2-amine
SMILESCCC(C)N(CCC1CCN(C(C)C)CC1)C(C)C
InChIInChI=1S/C17H36N2/c1-7-16(6)19(15(4)5)13-10-17-8-11-18(12-9-17)14(2)3/h14-17H,7-13H2,1-6H3
InChIKeyBHUSTFMHAHDLKD-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.01
Rot. Bonds7

About N-propan-2-yl-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]butan-2-amine

N-propan-2-yl-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]butan-2-amine (PubChem CID 178057630) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is N-propan-2-yl-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]butan-2-amine.

Molecular Properties

Compound NameN-propan-2-yl-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]butan-2-amine
PubChem CID178057630
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC NameN-propan-2-yl-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]butan-2-amine
SMILESCCC(C)N(CCC1CCN(C(C)C)CC1)C(C)C
InChIInChI=1S/C17H36N2/c1-7-16(6)19(15(4)5)13-10-17-8-11-18(12-9-17)14(2)3/h14-17H,7-13H2,1-6H3
InChIKeyBHUSTFMHAHDLKD-UHFFFAOYSA-N
XLogP4.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-methyl-2-(1-propan-2-ylpiperidin-4-yl)ethanamine
CID 176717350
N-methyl-N-propan-2-yl-3-(1-propan-2-ylpiperidin-4-yl)propan-1-amine
CID 170195980
N,2-dimethyl-N-[3-(1-propan-2-ylpiperidin-4-yl)propyl]butan-1-amine
CID 170039726
4-octyl-1-propan-2-ylpiperidine
CID 167231286
N-ethyl-2-methyl-N-[3-(1-propan-2-ylpiperidin-4-yl)propyl]propan-1-amine
CID 167231530
[methyl-[3-(1-propan-2-ylpiperidin-4-yl)propyl]amino]methanethiol
CID 170057835
4-ethyl-1-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidine
CID 158397131
3-(1-propan-2-ylpiperidin-4-yl)propanal
CID 83906803
N-iodo-N-methyl-1-(1-propan-2-ylpiperidin-4-yl)methanamine
CID 178102077
1,4-di(propan-2-yl)piperidine
CID 21303253
N,N'-dimethyl-N'-[5-methyl-7-(1-propan-2-ylpiperidin-4-yl)heptan-2-yl]ethane-1,2-diamine
CID 170586336
2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]propan-1-amine
CID 83835390

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]butan-2-amine?
The IUPAC name of N-propan-2-yl-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]butan-2-amine (CID 178057630) is N-propan-2-yl-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]butan-2-amine.
What is the SMILES notation for N-propan-2-yl-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]butan-2-amine?
The canonical SMILES for N-propan-2-yl-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]butan-2-amine is CCC(C)N(CCC1CCN(C(C)C)CC1)C(C)C.
What is the InChIKey of N-propan-2-yl-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]butan-2-amine?
The InChIKey is BHUSTFMHAHDLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-7-16(6)19(15(4)5)13-10-17-8-11-18(12-9-17)14(2)3/h14-17H,7-13H2,1-6H3.
What are the key properties of N-propan-2-yl-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]butan-2-amine?
N-propan-2-yl-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]butan-2-amine has a molecular weight of 268.49 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]butan-2-amine is sourced from PubChem (CID 178057630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).