N-[2-iodoethyl-(propan-2-ylamino)phosphoryl]propan-2-amine

C8H20IN2OP — CID 138468180

IUPACN-[2-iodoethyl-(propan-2-ylamino)phosphoryl]propan-2-amine
SMILESCC(C)NP(=O)(CCI)NC(C)C
InChIInChI=1S/C8H20IN2OP/c1-7(2)10-13(12,6-5-9)11-8(3)4/h7-8H,5-6H2,1-4H3,(H2,10,11,12)
InChIKeyVIWQTPNZOUHTKS-UHFFFAOYSA-N
MW318.14 g/mol
LogP2.61
Rot. Bonds6

About N-[2-iodoethyl-(propan-2-ylamino)phosphoryl]propan-2-amine

N-[2-iodoethyl-(propan-2-ylamino)phosphoryl]propan-2-amine (PubChem CID 138468180) has the molecular formula C8H20IN2OP and a molecular weight of 318.14 g/mol. Its IUPAC name is N-[2-iodoethyl-(propan-2-ylamino)phosphoryl]propan-2-amine.

Molecular Properties

Compound NameN-[2-iodoethyl-(propan-2-ylamino)phosphoryl]propan-2-amine
PubChem CID138468180
Molecular FormulaC8H20IN2OP
Molecular Weight318.14 g/mol
Exact Mass318.04
IUPAC NameN-[2-iodoethyl-(propan-2-ylamino)phosphoryl]propan-2-amine
SMILESCC(C)NP(=O)(CCI)NC(C)C
InChIInChI=1S/C8H20IN2OP/c1-7(2)10-13(12,6-5-9)11-8(3)4/h7-8H,5-6H2,1-4H3,(H2,10,11,12)
InChIKeyVIWQTPNZOUHTKS-UHFFFAOYSA-N
XLogP2.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.14
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-iodoethyl-(propan-2-ylamino)phosphoryl]propan-2-amine?
The IUPAC name of N-[2-iodoethyl-(propan-2-ylamino)phosphoryl]propan-2-amine (CID 138468180) is N-[2-iodoethyl-(propan-2-ylamino)phosphoryl]propan-2-amine.
What is the SMILES notation for N-[2-iodoethyl-(propan-2-ylamino)phosphoryl]propan-2-amine?
The canonical SMILES for N-[2-iodoethyl-(propan-2-ylamino)phosphoryl]propan-2-amine is CC(C)NP(=O)(CCI)NC(C)C.
What is the InChIKey of N-[2-iodoethyl-(propan-2-ylamino)phosphoryl]propan-2-amine?
The InChIKey is VIWQTPNZOUHTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20IN2OP/c1-7(2)10-13(12,6-5-9)11-8(3)4/h7-8H,5-6H2,1-4H3,(H2,10,11,12).
What are the key properties of N-[2-iodoethyl-(propan-2-ylamino)phosphoryl]propan-2-amine?
N-[2-iodoethyl-(propan-2-ylamino)phosphoryl]propan-2-amine has a molecular weight of 318.14 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-iodoethyl-(propan-2-ylamino)phosphoryl]propan-2-amine is sourced from PubChem (CID 138468180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).