N,3-dimethyl-N-propylbutan-1-amine;ethane

C11H27N — CID 143004983

IUPACN,3-dimethyl-N-propylbutan-1-amine;ethane
SMILESCC.CCCN(C)CCC(C)C
InChIInChI=1S/C9H21N.C2H6/c1-5-7-10(4)8-6-9(2)3;1-2/h9H,5-8H2,1-4H3;1-2H3
InChIKeyDFLFEFAARZPDEK-UHFFFAOYSA-N
MW173.34 g/mol
LogP3.40
Rot. Bonds5

About N,3-dimethyl-N-propylbutan-1-amine;ethane

N,3-dimethyl-N-propylbutan-1-amine;ethane (PubChem CID 143004983) has the molecular formula C11H27N and a molecular weight of 173.34 g/mol. Its IUPAC name is N,3-dimethyl-N-propylbutan-1-amine;ethane.

Molecular Properties

Compound NameN,3-dimethyl-N-propylbutan-1-amine;ethane
PubChem CID143004983
Molecular FormulaC11H27N
Molecular Weight173.34 g/mol
Exact Mass173.21
IUPAC NameN,3-dimethyl-N-propylbutan-1-amine;ethane
SMILESCC.CCCN(C)CCC(C)C
InChIInChI=1S/C9H21N.C2H6/c1-5-7-10(4)8-6-9(2)3;1-2/h9H,5-8H2,1-4H3;1-2H3
InChIKeyDFLFEFAARZPDEK-UHFFFAOYSA-N
XLogP3.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.34
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;N-ethyl-N,3-dimethylbutan-1-amine
CID 143818510
methane;2-methylbutane;N-methyl-N-propylpropan-1-amine
CID 143703435
(3S)-N,3-dimethyl-N-propylpentan-1-amine
CID 144585217
N,N'-dimethyl-N'-[2-[methyl(3-methylhexyl)amino]ethyl]-N-propylethane-1,2-diamine
CID 167171519
N-ethyl-3-methyl-N-propylbutan-1-amine
CID 89085287
3-ethyl-N,4-dimethyl-N-propylpentan-1-amine
CID 155439890
N,N'-dimethyl-N'-[2-[methyl(propyl)amino]ethyl]-N-propylethane-1,2-diamine
CID 162082787
N-butyl-N,4-dimethylpentan-1-amine
CID 88539043
N-(3-fluoropropyl)-N,3-dimethylbutan-1-amine
CID 142351395
N-methyl-N-(2-methylpropyl)-N',N'-dipropylethane-1,2-diamine
CID 166733537
N-hexyl-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine
CID 62557407
N'-methyl-N-(4-methylpentyl)-N'-propylpentane-1,5-diamine
CID 175614170

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-propylbutan-1-amine;ethane?
The IUPAC name of N,3-dimethyl-N-propylbutan-1-amine;ethane (CID 143004983) is N,3-dimethyl-N-propylbutan-1-amine;ethane.
What is the SMILES notation for N,3-dimethyl-N-propylbutan-1-amine;ethane?
The canonical SMILES for N,3-dimethyl-N-propylbutan-1-amine;ethane is CC.CCCN(C)CCC(C)C.
What is the InChIKey of N,3-dimethyl-N-propylbutan-1-amine;ethane?
The InChIKey is DFLFEFAARZPDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N.C2H6/c1-5-7-10(4)8-6-9(2)3;1-2/h9H,5-8H2,1-4H3;1-2H3.
What are the key properties of N,3-dimethyl-N-propylbutan-1-amine;ethane?
N,3-dimethyl-N-propylbutan-1-amine;ethane has a molecular weight of 173.34 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-propylbutan-1-amine;ethane is sourced from PubChem (CID 143004983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).