ethane;N-ethyl-2-propylpentan-1-amine;pentane

C17H41N — CID 143708977

IUPACethane;N-ethyl-2-propylpentan-1-amine;pentane
SMILESCC.CCCC(CCC)CNCC.CCCCC
InChIInChI=1S/C10H23N.C5H12.C2H6/c1-4-7-10(8-5-2)9-11-6-3;1-3-5-4-2;1-2/h10-11H,4-9H2,1-3H3;3-5H2,1-2H3;1-2H3
InChIKeyYXURLSFEIKHXEK-UHFFFAOYSA-N
MW259.52 g/mol
LogP6.03
Rot. Bonds9

About ethane;N-ethyl-2-propylpentan-1-amine;pentane

ethane;N-ethyl-2-propylpentan-1-amine;pentane (PubChem CID 143708977) has the molecular formula C17H41N and a molecular weight of 259.52 g/mol. Its IUPAC name is ethane;N-ethyl-2-propylpentan-1-amine;pentane.

Molecular Properties

Compound Nameethane;N-ethyl-2-propylpentan-1-amine;pentane
PubChem CID143708977
Molecular FormulaC17H41N
Molecular Weight259.52 g/mol
Exact Mass259.32
IUPAC Nameethane;N-ethyl-2-propylpentan-1-amine;pentane
SMILESCC.CCCC(CCC)CNCC.CCCCC
InChIInChI=1S/C10H23N.C5H12.C2H6/c1-4-7-10(8-5-2)9-11-6-3;1-3-5-4-2;1-2/h10-11H,4-9H2,1-3H3;3-5H2,1-2H3;1-2H3
InChIKeyYXURLSFEIKHXEK-UHFFFAOYSA-N
XLogP6.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.52
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-2-propylnonan-1-amine
CID 63498677
N,2-diethylhexan-1-amine
CID 14272988
N,2-dipropylpentan-1-amine
CID 62530512
1-(ethylamino)hexan-2-ol
CID 54078804
N,2-dipropyloctan-1-amine
CID 63497286
N-(2-methylpropyl)-2-propylheptan-1-amine
CID 63523290
N-ethyl-2-(2-propan-2-ylsulfonylethyl)pentan-1-amine
CID 106729659
2-hexyl-N-(2-hexyldodecyl)dodecan-1-amine
CID 141299280
magnesium;N-(2-ethylhexyl)-2-propylheptan-1-amine;dichloride
CID 175293817
N-ethyl-2-(2-methylpropyl)decan-1-amine
CID 55194495
1-(ethylamino)octan-2-ol
CID 62774096
N-(2-methoxyethyl)-2-propylhexan-1-amine
CID 62718810

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-2-propylpentan-1-amine;pentane?
The IUPAC name of ethane;N-ethyl-2-propylpentan-1-amine;pentane (CID 143708977) is ethane;N-ethyl-2-propylpentan-1-amine;pentane.
What is the SMILES notation for ethane;N-ethyl-2-propylpentan-1-amine;pentane?
The canonical SMILES for ethane;N-ethyl-2-propylpentan-1-amine;pentane is CC.CCCC(CCC)CNCC.CCCCC.
What is the InChIKey of ethane;N-ethyl-2-propylpentan-1-amine;pentane?
The InChIKey is YXURLSFEIKHXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N.C5H12.C2H6/c1-4-7-10(8-5-2)9-11-6-3;1-3-5-4-2;1-2/h10-11H,4-9H2,1-3H3;3-5H2,1-2H3;1-2H3.
What are the key properties of ethane;N-ethyl-2-propylpentan-1-amine;pentane?
ethane;N-ethyl-2-propylpentan-1-amine;pentane has a molecular weight of 259.52 g/mol, XLogP of 6.03, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-2-propylpentan-1-amine;pentane is sourced from PubChem (CID 143708977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).