3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-N-propylbutan-1-amine

C16H35N3 — CID 79409791

IUPAC3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-N-propylbutan-1-amine
SMILESCCCNCC(C)C(C)N1CCC(CN(C)C)CC1
InChIInChI=1S/C16H35N3/c1-6-9-17-12-14(2)15(3)19-10-7-16(8-11-19)13-18(4)5/h14-17H,6-13H2,1-5H3
InChIKeyXZAJNXYVHANIEA-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.28
Rot. Bonds8

About 3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-N-propylbutan-1-amine

3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-N-propylbutan-1-amine (PubChem CID 79409791) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is 3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-N-propylbutan-1-amine
PubChem CID79409791
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC Name3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-N-propylbutan-1-amine
SMILESCCCNCC(C)C(C)N1CCC(CN(C)C)CC1
InChIInChI=1S/C16H35N3/c1-6-9-17-12-14(2)15(3)19-10-7-16(8-11-19)13-18(4)5/h14-17H,6-13H2,1-5H3
InChIKeyXZAJNXYVHANIEA-UHFFFAOYSA-N
XLogP2.28
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-N-propylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-1-[1-(3-methylbutan-2-yl)piperidin-4-yl]methanamine
CID 146262261
3-(4-ethylpiperidin-1-yl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 81012074
N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]propyl]-2-methylpropan-1-amine
CID 55073601
3-N-(cyclopentylmethyl)-3-N,2-dimethyl-1-N-propylbutane-1,3-diamine
CID 79408443
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-ethylbutan-1-amine
CID 62430609
N-tert-butyl-2-[4-[(dimethylamino)methyl]piperidin-1-yl]pentan-1-amine
CID 83054006
5-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-propylpentan-1-amine
CID 55073746
2-N-(cyclobutylmethyl)-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 62854576
4-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methylpentan-1-amine
CID 62431308
2-N-(cyclopropylmethyl)-2-N-ethyl-1-N-propylpropane-1,2-diamine
CID 63938140
2-methyl-3-(2-methylazepan-1-yl)-N-propylbutan-1-amine
CID 79409081
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-ethylpentan-1-amine
CID 54985868

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-N-propylbutan-1-amine?
The IUPAC name of 3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-N-propylbutan-1-amine (CID 79409791) is 3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-N-propylbutan-1-amine?
The canonical SMILES for 3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-N-propylbutan-1-amine is CCCNCC(C)C(C)N1CCC(CN(C)C)CC1.
What is the InChIKey of 3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-N-propylbutan-1-amine?
The InChIKey is XZAJNXYVHANIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-6-9-17-12-14(2)15(3)19-10-7-16(8-11-19)13-18(4)5/h14-17H,6-13H2,1-5H3.
What are the key properties of 3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-N-propylbutan-1-amine?
3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-N-propylbutan-1-amine has a molecular weight of 269.48 g/mol, XLogP of 2.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 79409791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).