N,N,5-tributylnonan-5-amine

C21H45N — CID 175088572

IUPACN,N,5-tributylnonan-5-amine
SMILESCCCCN(CCCC)C(CCCC)(CCCC)CCCC
InChIInChI=1S/C21H45N/c1-6-11-16-21(17-12-7-2,18-13-8-3)22(19-14-9-4)20-15-10-5/h6-20H2,1-5H3
InChIKeyJXVPYDUMLBTWMZ-UHFFFAOYSA-N
MW311.60 g/mol
LogP7.20
Rot. Bonds16

About N,N,5-tributylnonan-5-amine

N,N,5-tributylnonan-5-amine (PubChem CID 175088572) has the molecular formula C21H45N and a molecular weight of 311.60 g/mol. Its IUPAC name is N,N,5-tributylnonan-5-amine.

Molecular Properties

Compound NameN,N,5-tributylnonan-5-amine
PubChem CID175088572
Molecular FormulaC21H45N
Molecular Weight311.60 g/mol
Exact Mass311.36
IUPAC NameN,N,5-tributylnonan-5-amine
SMILESCCCCN(CCCC)C(CCCC)(CCCC)CCCC
InChIInChI=1S/C21H45N/c1-6-11-16-21(17-12-7-2,18-13-8-3)22(19-14-9-4)20-15-10-5/h6-20H2,1-5H3
InChIKeyJXVPYDUMLBTWMZ-UHFFFAOYSA-N
XLogP7.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.60
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-dibutyl-5-propylnonan-5-amine
CID 141372550
21-nonyl-N,N-dipropylhentetracontan-21-amine
CID 155011902
2-N,2-N-dibutyl-2-ethylpentane-1,2-diamine
CID 114079873
2-(dibutylamino)-2-methylhexanoic acid
CID 174674804
2-[butyl(2-hydroxyethyl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 156729767
1-N,6-N-diethyl-3-N-[4-(ethylamino)butyl]-3-N-[5-(ethylamino)pentyl]-3-pentylhexane-1,3,6-triamine
CID 141113292
2-[19-(2-aminoethyl)heptatriacontan-19-yl-(2-hydroxyethyl)amino]ethanol
CID 87653740
N,N-dibutyl-2-methyltridecan-2-amine
CID 139722589
N-(2-methylhexan-2-yl)-N-nonylnonan-1-amine
CID 139722528
N,N-di(propan-2-yl)butan-1-amine
CID 11062646
butyl(4-ethyloctan-4-yl)carbamic acid
CID 175187890
2-methyl-N,N-dipentylpentan-2-amine
CID 139722937

Frequently Asked Questions

What is the IUPAC name of N,N,5-tributylnonan-5-amine?
The IUPAC name of N,N,5-tributylnonan-5-amine (CID 175088572) is N,N,5-tributylnonan-5-amine.
What is the SMILES notation for N,N,5-tributylnonan-5-amine?
The canonical SMILES for N,N,5-tributylnonan-5-amine is CCCCN(CCCC)C(CCCC)(CCCC)CCCC.
What is the InChIKey of N,N,5-tributylnonan-5-amine?
The InChIKey is JXVPYDUMLBTWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45N/c1-6-11-16-21(17-12-7-2,18-13-8-3)22(19-14-9-4)20-15-10-5/h6-20H2,1-5H3.
What are the key properties of N,N,5-tributylnonan-5-amine?
N,N,5-tributylnonan-5-amine has a molecular weight of 311.60 g/mol, XLogP of 7.20, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,5-tributylnonan-5-amine is sourced from PubChem (CID 175088572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).