N,2-dimethyl-N-[5-(4-methylpentylamino)pentyl]propanamide

C16H34N2O — CID 138727866

IUPACN,2-dimethyl-N-[5-(4-methylpentylamino)pentyl]propanamide
SMILESCC(C)CCCNCCCCCN(C)C(=O)C(C)C
InChIInChI=1S/C16H34N2O/c1-14(2)10-9-12-17-11-7-6-8-13-18(5)16(19)15(3)4/h14-15,17H,6-13H2,1-5H3
InChIKeyKDBQZTYMPBBPCN-UHFFFAOYSA-N
MW270.46 g/mol
LogP3.30
Rot. Bonds11

About N,2-dimethyl-N-[5-(4-methylpentylamino)pentyl]propanamide

N,2-dimethyl-N-[5-(4-methylpentylamino)pentyl]propanamide (PubChem CID 138727866) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is N,2-dimethyl-N-[5-(4-methylpentylamino)pentyl]propanamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[5-(4-methylpentylamino)pentyl]propanamide
PubChem CID138727866
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC NameN,2-dimethyl-N-[5-(4-methylpentylamino)pentyl]propanamide
SMILESCC(C)CCCNCCCCCN(C)C(=O)C(C)C
InChIInChI=1S/C16H34N2O/c1-14(2)10-9-12-17-11-7-6-8-13-18(5)16(19)15(3)4/h14-15,17H,6-13H2,1-5H3
InChIKeyKDBQZTYMPBBPCN-UHFFFAOYSA-N
XLogP3.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 53.30
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

N,2-dimethyl-N-(8-methylnonyl)propanamide
CID 161045695
N'-methyl-N-(4-methylpentyl)-N'-propylpentane-1,5-diamine
CID 175614170
N,2-dimethyl-N-(9-methyl-8-oxodecyl)propanamide
CID 176576878
11-methyl-N-(6-methylheptyl)dodecan-1-amine
CID 175343740
10-methyl-N-(10-methylundecyl)undecan-1-amine
CID 22625170
N-butyl-N,2-dimethylpropanamide
CID 21413636
3-(12-methyltridecylamino)propanoic acid
CID 168911693
7-methyl-N-(7-methyloctyl)octan-1-amine;7-methyloctanoic acid
CID 172838661
N-(4-methylpentyl)tetradecan-1-amine
CID 143841581
4-methyl-N-(4-methylpentyl)pentan-1-amine;nitrous acid
CID 173099376
N'-methyl-N-(4-methylpentyl)-N'-propan-2-ylethane-1,2-diamine
CID 59420439
N'-methyl-N'-(3-methylbut-1-en-2-yl)-N-propylpentane-1,5-diamine
CID 166678487

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[5-(4-methylpentylamino)pentyl]propanamide?
The IUPAC name of N,2-dimethyl-N-[5-(4-methylpentylamino)pentyl]propanamide (CID 138727866) is N,2-dimethyl-N-[5-(4-methylpentylamino)pentyl]propanamide.
What is the SMILES notation for N,2-dimethyl-N-[5-(4-methylpentylamino)pentyl]propanamide?
The canonical SMILES for N,2-dimethyl-N-[5-(4-methylpentylamino)pentyl]propanamide is CC(C)CCCNCCCCCN(C)C(=O)C(C)C.
What is the InChIKey of N,2-dimethyl-N-[5-(4-methylpentylamino)pentyl]propanamide?
The InChIKey is KDBQZTYMPBBPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-14(2)10-9-12-17-11-7-6-8-13-18(5)16(19)15(3)4/h14-15,17H,6-13H2,1-5H3.
What are the key properties of N,2-dimethyl-N-[5-(4-methylpentylamino)pentyl]propanamide?
N,2-dimethyl-N-[5-(4-methylpentylamino)pentyl]propanamide has a molecular weight of 270.46 g/mol, XLogP of 3.30, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[5-(4-methylpentylamino)pentyl]propanamide is sourced from PubChem (CID 138727866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).