N,N-diethyl-2-(phosphanylmethyl)butan-1-amine

C9H22NP — CID 59972215

IUPACN,N-diethyl-2-(phosphanylmethyl)butan-1-amine
SMILESCCC(CP)CN(CC)CC
InChIInChI=1S/C9H22NP/c1-4-9(8-11)7-10(5-2)6-3/h9H,4-8,11H2,1-3H3
InChIKeyAQGDBLREGJAQCG-UHFFFAOYSA-N
MW175.26 g/mol
LogP2.23
Rot. Bonds6

About N,N-diethyl-2-(phosphanylmethyl)butan-1-amine

N,N-diethyl-2-(phosphanylmethyl)butan-1-amine (PubChem CID 59972215) has the molecular formula C9H22NP and a molecular weight of 175.26 g/mol. Its IUPAC name is N,N-diethyl-2-(phosphanylmethyl)butan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-2-(phosphanylmethyl)butan-1-amine
PubChem CID59972215
Molecular FormulaC9H22NP
Molecular Weight175.26 g/mol
Exact Mass175.15
IUPAC NameN,N-diethyl-2-(phosphanylmethyl)butan-1-amine
SMILESCCC(CP)CN(CC)CC
InChIInChI=1S/C9H22NP/c1-4-9(8-11)7-10(5-2)6-3/h9H,4-8,11H2,1-3H3
InChIKeyAQGDBLREGJAQCG-UHFFFAOYSA-N
XLogP2.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.26
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-N-ethyl-1-N-(2-ethylbutyl)propane-1,2-diamine
CID 103934531
ethane;2-ethyl-N,N-dipropylbutan-1-amine
CID 145001247
N,N-diethyl-2,2-dimethoxyethanamine
CID 21281611
6-chloro-N-ethyl-N-(2-ethylbutyl)hexan-1-amine
CID 63447266
N,2-diethyl-N-(2-pyridin-4-ylethyl)butan-1-amine
CID 78896115
N'-ethyl-N'-(2-ethyl-4-methylpentyl)-N,N-dimethylethane-1,2-diamine
CID 178004970
N-(3,3-diethoxypropyl)-N,2-diethylbutan-1-amine
CID 55247243
N',2-diethyl-N'-(2-ethylbutyl)-2-methylpropane-1,3-diamine
CID 62261128
(2R)-1-amino-3-(diethylamino)propan-2-ol
CID 7000197
N-ethyl-N-(2-ethylbutyl)-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 63491213
N-(2-chloroethyl)-N,2-diethylhexan-1-amine
CID 63386988
(Z,2E)-N-ethyl-N-(2-ethylbutyl)-2-ethylidenepent-3-en-1-amine
CID 178156777

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(phosphanylmethyl)butan-1-amine?
The IUPAC name of N,N-diethyl-2-(phosphanylmethyl)butan-1-amine (CID 59972215) is N,N-diethyl-2-(phosphanylmethyl)butan-1-amine.
What is the SMILES notation for N,N-diethyl-2-(phosphanylmethyl)butan-1-amine?
The canonical SMILES for N,N-diethyl-2-(phosphanylmethyl)butan-1-amine is CCC(CP)CN(CC)CC.
What is the InChIKey of N,N-diethyl-2-(phosphanylmethyl)butan-1-amine?
The InChIKey is AQGDBLREGJAQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22NP/c1-4-9(8-11)7-10(5-2)6-3/h9H,4-8,11H2,1-3H3.
What are the key properties of N,N-diethyl-2-(phosphanylmethyl)butan-1-amine?
N,N-diethyl-2-(phosphanylmethyl)butan-1-amine has a molecular weight of 175.26 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(phosphanylmethyl)butan-1-amine is sourced from PubChem (CID 59972215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).