N'-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]-N'-propan-2-ylbutane-1,4-diamine

C16H35N3 — CID 62414712

IUPACN'-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]-N'-propan-2-ylbutane-1,4-diamine
SMILESCC(C)N(C)CCCCNCCC1CCCCN1C
InChIInChI=1S/C16H35N3/c1-15(2)18(3)13-8-6-11-17-12-10-16-9-5-7-14-19(16)4/h15-17H,5-14H2,1-4H3
InChIKeyWVFQNAYCNLKOPD-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.57
Rot. Bonds9

About N'-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]-N'-propan-2-ylbutane-1,4-diamine

N'-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]-N'-propan-2-ylbutane-1,4-diamine (PubChem CID 62414712) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is N'-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]-N'-propan-2-ylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]-N'-propan-2-ylbutane-1,4-diamine
PubChem CID62414712
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC NameN'-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]-N'-propan-2-ylbutane-1,4-diamine
SMILESCC(C)N(C)CCCCNCCC1CCCCN1C
InChIInChI=1S/C16H35N3/c1-15(2)18(3)13-8-6-11-17-12-10-16-9-5-7-14-19(16)4/h15-17H,5-14H2,1-4H3
InChIKeyWVFQNAYCNLKOPD-UHFFFAOYSA-N
XLogP2.57
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]-N'-propan-2-ylbutane-1,4-diamine 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

7-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]octan-1-amine
CID 103604979
4-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-1-amine
CID 62414508
4-iodo-N-[2-(1-methylpiperidin-2-yl)ethyl]butan-1-amine
CID 107914068
3-bromo-N-[2-(1-methylpiperidin-2-yl)ethyl]propan-1-amine
CID 107913859
2-(1-methylpiperidin-2-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 104760185
N-[2-(1-methylpyrrolidin-2-yl)ethyl]octan-1-amine
CID 166754142
N-ethyl-2-(1-methylpiperidin-2-yl)ethanamine
CID 60685781
2,3-dimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butan-1-amine
CID 64570931
2-chloro-3-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butan-1-amine
CID 107913930
N-[2-[2-(1-methylpiperidin-2-yl)ethylamino]ethyl]methanesulfonamide
CID 55066683
2-N,2-N,2-trimethyl-1-N-[2-(1-methylpiperidin-2-yl)ethyl]propane-1,2-diamine
CID 55024501
N-[2-(1-methylpiperidin-2-yl)ethyl]-2-piperidin-1-ylpropan-1-amine
CID 55067071

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]-N'-propan-2-ylbutane-1,4-diamine?
The IUPAC name of N'-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]-N'-propan-2-ylbutane-1,4-diamine (CID 62414712) is N'-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]-N'-propan-2-ylbutane-1,4-diamine.
What is the SMILES notation for N'-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]-N'-propan-2-ylbutane-1,4-diamine?
The canonical SMILES for N'-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]-N'-propan-2-ylbutane-1,4-diamine is CC(C)N(C)CCCCNCCC1CCCCN1C.
What is the InChIKey of N'-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]-N'-propan-2-ylbutane-1,4-diamine?
The InChIKey is WVFQNAYCNLKOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-15(2)18(3)13-8-6-11-17-12-10-16-9-5-7-14-19(16)4/h15-17H,5-14H2,1-4H3.
What are the key properties of N'-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]-N'-propan-2-ylbutane-1,4-diamine?
N'-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]-N'-propan-2-ylbutane-1,4-diamine has a molecular weight of 269.48 g/mol, XLogP of 2.57, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]-N'-propan-2-ylbutane-1,4-diamine is sourced from PubChem (CID 62414712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).