N,7-diethylnonan-3-amine

C13H29N — CID 82925508

IUPACN,7-diethylnonan-3-amine
SMILESCCNC(CC)CCCC(CC)CC
InChIInChI=1S/C13H29N/c1-5-12(6-2)10-9-11-13(7-3)14-8-4/h12-14H,5-11H2,1-4H3
InChIKeyLJXRTCCBYFYSBM-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.98
Rot. Bonds9

About N,7-diethylnonan-3-amine

N,7-diethylnonan-3-amine (PubChem CID 82925508) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is N,7-diethylnonan-3-amine.

Molecular Properties

Compound NameN,7-diethylnonan-3-amine
PubChem CID82925508
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC NameN,7-diethylnonan-3-amine
SMILESCCNC(CC)CCCC(CC)CC
InChIInChI=1S/C13H29N/c1-5-12(6-2)10-9-11-13(7-3)14-8-4/h12-14H,5-11H2,1-4H3
InChIKeyLJXRTCCBYFYSBM-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethylnonan-3-amine
CID 60996683
3,7-diethylnonane
CID 22089120
N-ethyldecan-3-amine;dihydrochloride
CID 175708733
N,5-diethylpentadecan-7-amine
CID 115806799
6-butan-2-ylsulfanyl-N-ethylhexan-3-amine
CID 106808180
N-ethyl-6-pentoxyhexan-3-amine
CID 106800895
4-ethyl-2-(ethylamino)octan-1-ol
CID 174812518
6-N-ethyl-1-N,1-N-di(propan-2-yl)octane-1,6-diamine
CID 173351469
1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-1-N-methylhexane-1,4-diamine
CID 106799873
N-ethyl-6-propylsulfinylhexan-3-amine
CID 106807953
6-(3,5-dimethoxyphenoxy)-N-ethylhexan-3-amine
CID 106800899
6-tert-butylsulfinyl-N-ethylhexan-3-amine
CID 106807949

Frequently Asked Questions

What is the IUPAC name of N,7-diethylnonan-3-amine?
The IUPAC name of N,7-diethylnonan-3-amine (CID 82925508) is N,7-diethylnonan-3-amine.
What is the SMILES notation for N,7-diethylnonan-3-amine?
The canonical SMILES for N,7-diethylnonan-3-amine is CCNC(CC)CCCC(CC)CC.
What is the InChIKey of N,7-diethylnonan-3-amine?
The InChIKey is LJXRTCCBYFYSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-5-12(6-2)10-9-11-13(7-3)14-8-4/h12-14H,5-11H2,1-4H3.
What are the key properties of N,7-diethylnonan-3-amine?
N,7-diethylnonan-3-amine has a molecular weight of 199.38 g/mol, XLogP of 3.98, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,7-diethylnonan-3-amine is sourced from PubChem (CID 82925508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).