N-ethyl-4-phosphanyl-3-(phosphanylmethyl)butan-2-amine

C7H19NP2 — CID 167265336

IUPACN-ethyl-4-phosphanyl-3-(phosphanylmethyl)butan-2-amine
SMILESCCNC(C)C(CP)CP
InChIInChI=1S/C7H19NP2/c1-3-8-6(2)7(4-9)5-10/h6-8H,3-5,9-10H2,1-2H3
InChIKeyYVKVOVJMZQZQSL-UHFFFAOYSA-N
MW179.18 g/mol
LogP1.35
Rot. Bonds5

About N-ethyl-4-phosphanyl-3-(phosphanylmethyl)butan-2-amine

N-ethyl-4-phosphanyl-3-(phosphanylmethyl)butan-2-amine (PubChem CID 167265336) has the molecular formula C7H19NP2 and a molecular weight of 179.18 g/mol. Its IUPAC name is N-ethyl-4-phosphanyl-3-(phosphanylmethyl)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-phosphanyl-3-(phosphanylmethyl)butan-2-amine
PubChem CID167265336
Molecular FormulaC7H19NP2
Molecular Weight179.18 g/mol
Exact Mass179.10
IUPAC NameN-ethyl-4-phosphanyl-3-(phosphanylmethyl)butan-2-amine
SMILESCCNC(C)C(CP)CP
InChIInChI=1S/C7H19NP2/c1-3-8-6(2)7(4-9)5-10/h6-8H,3-5,9-10H2,1-2H3
InChIKeyYVKVOVJMZQZQSL-UHFFFAOYSA-N
XLogP1.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,3-diethyl-5-methylhexan-2-amine
CID 54129064
(1R)-N-ethyl-1-phosphanylethanamine
CID 121458893
5-ethoxy-N,3-diethylpentan-2-amine
CID 60999530
N,3-diethyl-6,6-dimethylheptan-2-amine
CID 61481134
3-chloro-N-ethylpentan-2-amine
CID 131140480
(2S,3R)-N-ethyl-3-methylhexan-2-amine
CID 51891368
CID 162331497
CID 162331497
N,3-diethyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-amine
CID 112590492
N,3-diethyl-5-(2-methylpropoxy)pentan-2-amine
CID 106454434
N-but-2-ynyl-3-ethylpentan-2-amine
CID 63836344
(2S)-2-(ethylamino)propanal
CID 54567079
2-N-ethyl-1-N-phosphanylpropane-1,2-diamine
CID 59810987

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-phosphanyl-3-(phosphanylmethyl)butan-2-amine?
The IUPAC name of N-ethyl-4-phosphanyl-3-(phosphanylmethyl)butan-2-amine (CID 167265336) is N-ethyl-4-phosphanyl-3-(phosphanylmethyl)butan-2-amine.
What is the SMILES notation for N-ethyl-4-phosphanyl-3-(phosphanylmethyl)butan-2-amine?
The canonical SMILES for N-ethyl-4-phosphanyl-3-(phosphanylmethyl)butan-2-amine is CCNC(C)C(CP)CP.
What is the InChIKey of N-ethyl-4-phosphanyl-3-(phosphanylmethyl)butan-2-amine?
The InChIKey is YVKVOVJMZQZQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19NP2/c1-3-8-6(2)7(4-9)5-10/h6-8H,3-5,9-10H2,1-2H3.
What are the key properties of N-ethyl-4-phosphanyl-3-(phosphanylmethyl)butan-2-amine?
N-ethyl-4-phosphanyl-3-(phosphanylmethyl)butan-2-amine has a molecular weight of 179.18 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-phosphanyl-3-(phosphanylmethyl)butan-2-amine is sourced from PubChem (CID 167265336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).