N,6-dimethylheptan-1-amine;ethane

C11H27N — CID 169159475

IUPACN,6-dimethylheptan-1-amine;ethane
SMILESCC.CNCCCCCC(C)C
InChIInChI=1S/C9H21N.C2H6/c1-9(2)7-5-4-6-8-10-3;1-2/h9-10H,4-8H2,1-3H3;1-2H3
InChIKeyMNMMDDNCAMVFHV-UHFFFAOYSA-N
MW173.34 g/mol
LogP3.45
Rot. Bonds6

About N,6-dimethylheptan-1-amine;ethane

N,6-dimethylheptan-1-amine;ethane (PubChem CID 169159475) has the molecular formula C11H27N and a molecular weight of 173.34 g/mol. Its IUPAC name is N,6-dimethylheptan-1-amine;ethane.

Molecular Properties

Compound NameN,6-dimethylheptan-1-amine;ethane
PubChem CID169159475
Molecular FormulaC11H27N
Molecular Weight173.34 g/mol
Exact Mass173.21
IUPAC NameN,6-dimethylheptan-1-amine;ethane
SMILESCC.CNCCCCCC(C)C
InChIInChI=1S/C9H21N.C2H6/c1-9(2)7-5-4-6-8-10-3;1-2/h9-10H,4-8H2,1-3H3;1-2H3
InChIKeyMNMMDDNCAMVFHV-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,5-dimethylhexan-1-amine;ethane
CID 142540507
11-methyl-N-(6-methylheptyl)dodecan-1-amine
CID 175343740
10-methyl-N-(10-methylundecyl)undecan-1-amine
CID 22625170
2,22-dimethyltricosane
CID 58100191
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
10-(methylamino)decane-1,1-diol
CID 151651816
8-methyl-N-oxidononan-1-amine
CID 170430879
N,N'-dimethylheptane-1,7-diamine;ethane;molecular hydrogen
CID 176578398
ethane;13-methyl-N-propyltetradecan-1-amine
CID 176934957
ethane;6-methyl-N-propylheptan-1-amine
CID 144802351
(5R)-N,5,6,8-tetramethylnonan-1-amine
CID 174103380
N,12-dimethylpentadecan-1-amine
CID 174486923

Frequently Asked Questions

What is the IUPAC name of N,6-dimethylheptan-1-amine;ethane?
The IUPAC name of N,6-dimethylheptan-1-amine;ethane (CID 169159475) is N,6-dimethylheptan-1-amine;ethane.
What is the SMILES notation for N,6-dimethylheptan-1-amine;ethane?
The canonical SMILES for N,6-dimethylheptan-1-amine;ethane is CC.CNCCCCCC(C)C.
What is the InChIKey of N,6-dimethylheptan-1-amine;ethane?
The InChIKey is MNMMDDNCAMVFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N.C2H6/c1-9(2)7-5-4-6-8-10-3;1-2/h9-10H,4-8H2,1-3H3;1-2H3.
What are the key properties of N,6-dimethylheptan-1-amine;ethane?
N,6-dimethylheptan-1-amine;ethane has a molecular weight of 173.34 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethylheptan-1-amine;ethane is sourced from PubChem (CID 169159475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).