N-butan-2-yl-4-(4-methylpiperidin-1-yl)butan-1-amine

C14H30N2 — CID 115709722

IUPACN-butan-2-yl-4-(4-methylpiperidin-1-yl)butan-1-amine
SMILESCCC(C)NCCCCN1CCC(C)CC1
InChIInChI=1S/C14H30N2/c1-4-14(3)15-9-5-6-10-16-11-7-13(2)8-12-16/h13-15H,4-12H2,1-3H3
InChIKeyWPDJREBRBLCAAC-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.89
Rot. Bonds7

About N-butan-2-yl-4-(4-methylpiperidin-1-yl)butan-1-amine

N-butan-2-yl-4-(4-methylpiperidin-1-yl)butan-1-amine (PubChem CID 115709722) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-butan-2-yl-4-(4-methylpiperidin-1-yl)butan-1-amine.

Molecular Properties

Compound NameN-butan-2-yl-4-(4-methylpiperidin-1-yl)butan-1-amine
PubChem CID115709722
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-butan-2-yl-4-(4-methylpiperidin-1-yl)butan-1-amine
SMILESCCC(C)NCCCCN1CCC(C)CC1
InChIInChI=1S/C14H30N2/c1-4-14(3)15-9-5-6-10-16-11-7-13(2)8-12-16/h13-15H,4-12H2,1-3H3
InChIKeyWPDJREBRBLCAAC-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-methylpiperidin-1-yl)-N-propan-2-ylpropan-1-amine
CID 28679951
2-[3-(4-methylpiperidin-1-yl)propylamino]butanoic acid
CID 113292330
N-[3-(azepan-1-yl)propyl]butan-2-amine
CID 115707284
N-[3-(4-ethylpiperazin-1-yl)propyl]butan-2-amine
CID 115709438
1-butan-2-yl-2-methyl-3-[4-(4-methylpiperidin-1-yl)butyl]guanidine;hydroiodide
CID 110943787
3-(butan-2-ylamino)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 109013070
N-butan-2-yl-3-(4-methylpiperidin-1-yl)propanamide
CID 109012920
3-amino-2-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]butanamide
CID 120503040
(2R)-2-amino-N-[3-(4-methylpiperidin-1-yl)propyl]butanamide
CID 79023285
N-methyl-4-(4-propan-2-ylpiperidin-1-yl)butan-1-amine
CID 103497352
1-[1-[3-(propan-2-ylamino)propyl]piperidin-4-yl]ethanol
CID 106837078
2-[1-[3-(4-methylpiperidin-1-yl)propylamino]propyl]phenol
CID 43205645

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-(4-methylpiperidin-1-yl)butan-1-amine?
The IUPAC name of N-butan-2-yl-4-(4-methylpiperidin-1-yl)butan-1-amine (CID 115709722) is N-butan-2-yl-4-(4-methylpiperidin-1-yl)butan-1-amine.
What is the SMILES notation for N-butan-2-yl-4-(4-methylpiperidin-1-yl)butan-1-amine?
The canonical SMILES for N-butan-2-yl-4-(4-methylpiperidin-1-yl)butan-1-amine is CCC(C)NCCCCN1CCC(C)CC1.
What is the InChIKey of N-butan-2-yl-4-(4-methylpiperidin-1-yl)butan-1-amine?
The InChIKey is WPDJREBRBLCAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-4-14(3)15-9-5-6-10-16-11-7-13(2)8-12-16/h13-15H,4-12H2,1-3H3.
What are the key properties of N-butan-2-yl-4-(4-methylpiperidin-1-yl)butan-1-amine?
N-butan-2-yl-4-(4-methylpiperidin-1-yl)butan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-(4-methylpiperidin-1-yl)butan-1-amine is sourced from PubChem (CID 115709722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).