N-butan-2-yl-N-ethyl-2-propylpentan-1-amine

C14H31N — CID 177354730

IUPACN-butan-2-yl-N-ethyl-2-propylpentan-1-amine
SMILESCCCC(CCC)CN(CC)C(C)CC
InChIInChI=1S/C14H31N/c1-6-10-14(11-7-2)12-15(9-4)13(5)8-3/h13-14H,6-12H2,1-5H3
InChIKeyKDMJBCIAUWWOGF-UHFFFAOYSA-N
MW213.41 g/mol
LogP4.32
Rot. Bonds9

About N-butan-2-yl-N-ethyl-2-propylpentan-1-amine

N-butan-2-yl-N-ethyl-2-propylpentan-1-amine (PubChem CID 177354730) has the molecular formula C14H31N and a molecular weight of 213.41 g/mol. Its IUPAC name is N-butan-2-yl-N-ethyl-2-propylpentan-1-amine.

Molecular Properties

Compound NameN-butan-2-yl-N-ethyl-2-propylpentan-1-amine
PubChem CID177354730
Molecular FormulaC14H31N
Molecular Weight213.41 g/mol
Exact Mass213.25
IUPAC NameN-butan-2-yl-N-ethyl-2-propylpentan-1-amine
SMILESCCCC(CCC)CN(CC)C(C)CC
InChIInChI=1S/C14H31N/c1-6-10-14(11-7-2)12-15(9-4)13(5)8-3/h13-14H,6-12H2,1-5H3
InChIKeyKDMJBCIAUWWOGF-UHFFFAOYSA-N
XLogP4.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.41
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-N-(2-methylpropyl)butan-2-amine
CID 54537801
(2R)-1-[butan-2-yl(ethyl)amino]propan-2-ol
CID 103934940
2-N-ethyl-2-N-(2-ethylbutyl)pentane-1,2-diamine
CID 61436765
ethane;N-ethyl-N-propylpentan-2-amine
CID 165399602
3-N-ethyl-3-N-(2-ethylbutyl)heptane-3,4-diamine
CID 61436771
N,N-dipropylbutan-2-amine
CID 524229
N,N,5-trimethyl-2-propylhexan-1-amine
CID 123395746
2-N-ethyl-2-N-(2-ethylbutyl)-1-N-(3-methylbutyl)propane-1,2-diamine
CID 55197020
1-N,2-N-diethyl-2-N-(2-ethylbutyl)pentane-1,2-diamine
CID 83054107
1-N,1-N,1-N',1-N'-tetraethylbutane-1,1-diamine
CID 87994889
2,8-dimethyl-5-propylnonane
CID 57014492
1-N,4-N-diethyl-4-N-(2-ethylbutyl)pentane-1,4-diamine
CID 62435358

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-ethyl-2-propylpentan-1-amine?
The IUPAC name of N-butan-2-yl-N-ethyl-2-propylpentan-1-amine (CID 177354730) is N-butan-2-yl-N-ethyl-2-propylpentan-1-amine.
What is the SMILES notation for N-butan-2-yl-N-ethyl-2-propylpentan-1-amine?
The canonical SMILES for N-butan-2-yl-N-ethyl-2-propylpentan-1-amine is CCCC(CCC)CN(CC)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-ethyl-2-propylpentan-1-amine?
The InChIKey is KDMJBCIAUWWOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N/c1-6-10-14(11-7-2)12-15(9-4)13(5)8-3/h13-14H,6-12H2,1-5H3.
What are the key properties of N-butan-2-yl-N-ethyl-2-propylpentan-1-amine?
N-butan-2-yl-N-ethyl-2-propylpentan-1-amine has a molecular weight of 213.41 g/mol, XLogP of 4.32, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-ethyl-2-propylpentan-1-amine is sourced from PubChem (CID 177354730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).