1-butan-2-yl-5-(2,2-dimethylpropyl)-N-(3-methylbutyl)piperidin-3-amine

C19H40N2 — CID 83995888

IUPAC1-butan-2-yl-5-(2,2-dimethylpropyl)-N-(3-methylbutyl)piperidin-3-amine
SMILESCCC(C)N1CC(CC(C)(C)C)CC(NCCC(C)C)C1
InChIInChI=1S/C19H40N2/c1-8-16(4)21-13-17(12-19(5,6)7)11-18(14-21)20-10-9-15(2)3/h15-18,20H,8-14H2,1-7H3
InChIKeyRYZFZIWNBVQDLB-UHFFFAOYSA-N
MW296.54 g/mol
LogP4.55
Rot. Bonds7

About 1-butan-2-yl-5-(2,2-dimethylpropyl)-N-(3-methylbutyl)piperidin-3-amine

1-butan-2-yl-5-(2,2-dimethylpropyl)-N-(3-methylbutyl)piperidin-3-amine (PubChem CID 83995888) has the molecular formula C19H40N2 and a molecular weight of 296.54 g/mol. Its IUPAC name is 1-butan-2-yl-5-(2,2-dimethylpropyl)-N-(3-methylbutyl)piperidin-3-amine.

Molecular Properties

Compound Name1-butan-2-yl-5-(2,2-dimethylpropyl)-N-(3-methylbutyl)piperidin-3-amine
PubChem CID83995888
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC Name1-butan-2-yl-5-(2,2-dimethylpropyl)-N-(3-methylbutyl)piperidin-3-amine
SMILESCCC(C)N1CC(CC(C)(C)C)CC(NCCC(C)C)C1
InChIInChI=1S/C19H40N2/c1-8-16(4)21-13-17(12-19(5,6)7)11-18(14-21)20-10-9-15(2)3/h15-18,20H,8-14H2,1-7H3
InChIKeyRYZFZIWNBVQDLB-UHFFFAOYSA-N
XLogP4.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.54
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-butan-2-yl-5-(3-methylbutylamino)piperidin-3-yl]ethanol
CID 83995891
N-[1-butan-2-yl-5-(2,2-dimethylpropyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 112542345
ethyl N-[1-butan-2-yl-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate
CID 112543950
tert-butyl N-[1-butan-2-yl-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate
CID 112544588
methyl 3-(2,2-dimethylpropyl)-5-(3-methylbutylamino)piperidine-1-carboxylate
CID 83995695
5-(cyclopropylmethyl)-N-(3-methylbutyl)-1-propan-2-ylpiperidin-3-amine
CID 83995669
N-(cyclopentylmethyl)-5-(2,2-dimethylpropyl)-1-propan-2-ylpiperidin-3-amine
CID 83997744
N-ethyl-1-propan-2-yl-5-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83990301
1-(1-cyclopropylethyl)-5-(cyclopropylmethyl)-N-(3-methylbutyl)piperidin-3-amine
CID 83996007
2-[5-(3-methylbutylamino)-1-propan-2-ylpiperidin-3-yl]acetic acid
CID 83995675
3-[1-butan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
CID 83992434
1-butan-2-yl-N-methylazetidin-3-amine
CID 117002866

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-5-(2,2-dimethylpropyl)-N-(3-methylbutyl)piperidin-3-amine?
The IUPAC name of 1-butan-2-yl-5-(2,2-dimethylpropyl)-N-(3-methylbutyl)piperidin-3-amine (CID 83995888) is 1-butan-2-yl-5-(2,2-dimethylpropyl)-N-(3-methylbutyl)piperidin-3-amine.
What is the SMILES notation for 1-butan-2-yl-5-(2,2-dimethylpropyl)-N-(3-methylbutyl)piperidin-3-amine?
The canonical SMILES for 1-butan-2-yl-5-(2,2-dimethylpropyl)-N-(3-methylbutyl)piperidin-3-amine is CCC(C)N1CC(CC(C)(C)C)CC(NCCC(C)C)C1.
What is the InChIKey of 1-butan-2-yl-5-(2,2-dimethylpropyl)-N-(3-methylbutyl)piperidin-3-amine?
The InChIKey is RYZFZIWNBVQDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2/c1-8-16(4)21-13-17(12-19(5,6)7)11-18(14-21)20-10-9-15(2)3/h15-18,20H,8-14H2,1-7H3.
What are the key properties of 1-butan-2-yl-5-(2,2-dimethylpropyl)-N-(3-methylbutyl)piperidin-3-amine?
1-butan-2-yl-5-(2,2-dimethylpropyl)-N-(3-methylbutyl)piperidin-3-amine has a molecular weight of 296.54 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-5-(2,2-dimethylpropyl)-N-(3-methylbutyl)piperidin-3-amine is sourced from PubChem (CID 83995888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).