N-ethyl-N-[3-iminopropoxy(methyl)phosphanyl]propan-2-amine

C9H21N2OP — CID 89351532

IUPACN-ethyl-N-[3-iminopropoxy(methyl)phosphanyl]propan-2-amine
SMILES[H]/N=C/CCOP(C)N(CC)C(C)C
InChIInChI=1S/C9H21N2OP/c1-5-11(9(2)3)13(4)12-8-6-7-10/h7,9-10H,5-6,8H2,1-4H3/b10-7+
InChIKeyHEOZHUATJHNLKY-JXMROGBWSA-N
MW204.25 g/mol
LogP2.71
Rot. Bonds7

About N-ethyl-N-[3-iminopropoxy(methyl)phosphanyl]propan-2-amine

N-ethyl-N-[3-iminopropoxy(methyl)phosphanyl]propan-2-amine (PubChem CID 89351532) has the molecular formula C9H21N2OP and a molecular weight of 204.25 g/mol. Its IUPAC name is N-ethyl-N-[3-iminopropoxy(methyl)phosphanyl]propan-2-amine.

Molecular Properties

Compound NameN-ethyl-N-[3-iminopropoxy(methyl)phosphanyl]propan-2-amine
PubChem CID89351532
Molecular FormulaC9H21N2OP
Molecular Weight204.25 g/mol
Exact Mass204.14
IUPAC NameN-ethyl-N-[3-iminopropoxy(methyl)phosphanyl]propan-2-amine
SMILES[H]/N=C/CCOP(C)N(CC)C(C)C
InChIInChI=1S/C9H21N2OP/c1-5-11(9(2)3)13(4)12-8-6-7-10/h7,9-10H,5-6,8H2,1-4H3/b10-7+
InChIKeyHEOZHUATJHNLKY-JXMROGBWSA-N
XLogP2.71
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[3-iminopropoxy(methyl)phosphanyl]propan-2-amine?
The IUPAC name of N-ethyl-N-[3-iminopropoxy(methyl)phosphanyl]propan-2-amine (CID 89351532) is N-ethyl-N-[3-iminopropoxy(methyl)phosphanyl]propan-2-amine.
What is the SMILES notation for N-ethyl-N-[3-iminopropoxy(methyl)phosphanyl]propan-2-amine?
The canonical SMILES for N-ethyl-N-[3-iminopropoxy(methyl)phosphanyl]propan-2-amine is [H]/N=C/CCOP(C)N(CC)C(C)C.
What is the InChIKey of N-ethyl-N-[3-iminopropoxy(methyl)phosphanyl]propan-2-amine?
The InChIKey is HEOZHUATJHNLKY-JXMROGBWSA-N. The full InChI is InChI=1S/C9H21N2OP/c1-5-11(9(2)3)13(4)12-8-6-7-10/h7,9-10H,5-6,8H2,1-4H3/b10-7+.
What are the key properties of N-ethyl-N-[3-iminopropoxy(methyl)phosphanyl]propan-2-amine?
N-ethyl-N-[3-iminopropoxy(methyl)phosphanyl]propan-2-amine has a molecular weight of 204.25 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[3-iminopropoxy(methyl)phosphanyl]propan-2-amine is sourced from PubChem (CID 89351532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).