N-[bis(butylamino)phosphoryl]butan-1-amine

C12H30N3OP — CID 15653527

IUPACN-[bis(butylamino)phosphoryl]butan-1-amine
SMILESCCCCNP(=O)(NCCCC)NCCCC
InChIInChI=1S/C12H30N3OP/c1-4-7-10-13-17(16,14-11-8-5-2)15-12-9-6-3/h4-12H2,1-3H3,(H3,13,14,15,16)
InChIKeyWAMXZUJJIJAYGZ-UHFFFAOYSA-N
MW263.37 g/mol
LogP3.26
Rot. Bonds12

About N-[bis(butylamino)phosphoryl]butan-1-amine

N-[bis(butylamino)phosphoryl]butan-1-amine (PubChem CID 15653527) has the molecular formula C12H30N3OP and a molecular weight of 263.37 g/mol. Its IUPAC name is N-[bis(butylamino)phosphoryl]butan-1-amine.

Molecular Properties

Compound NameN-[bis(butylamino)phosphoryl]butan-1-amine
PubChem CID15653527
Molecular FormulaC12H30N3OP
Molecular Weight263.37 g/mol
Exact Mass263.21
IUPAC NameN-[bis(butylamino)phosphoryl]butan-1-amine
SMILESCCCCNP(=O)(NCCCC)NCCCC
InChIInChI=1S/C12H30N3OP/c1-4-7-10-13-17(16,14-11-8-5-2)15-12-9-6-3/h4-12H2,1-3H3,(H3,13,14,15,16)
InChIKeyWAMXZUJJIJAYGZ-UHFFFAOYSA-N
XLogP3.26
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-bis(octylamino)phosphoryloctan-1-amine
CID 71386012
N-[amino(butylamino)phosphinothioyl]butan-1-amine
CID 151376674
N-[butylamino(phenyl)phosphoryl]butan-1-amine
CID 12884898
N-diethoxyphosphorylhexadecan-1-amine
CID 22003017
N-dimethoxyphosphoryldodecan-1-amine
CID 54307862
tris(N-butylbutan-1-amine);methanol;phosphoric acid;trihydrate
CID 173413745
CID 175738153
CID 175738153
N-diaminophosphinothioylbutan-1-amine;urea
CID 90659758
butane;lanthanum(3+);phosphate
CID 118953489
CID 172720905
CID 172720905
N-[butyl(ethylamino)phosphoryl]propan-1-amine
CID 123972453
[4-(dioctylamino)butylamino]phosphonic acid
CID 58601813

Frequently Asked Questions

What is the IUPAC name of N-[bis(butylamino)phosphoryl]butan-1-amine?
The IUPAC name of N-[bis(butylamino)phosphoryl]butan-1-amine (CID 15653527) is N-[bis(butylamino)phosphoryl]butan-1-amine.
What is the SMILES notation for N-[bis(butylamino)phosphoryl]butan-1-amine?
The canonical SMILES for N-[bis(butylamino)phosphoryl]butan-1-amine is CCCCNP(=O)(NCCCC)NCCCC.
What is the InChIKey of N-[bis(butylamino)phosphoryl]butan-1-amine?
The InChIKey is WAMXZUJJIJAYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30N3OP/c1-4-7-10-13-17(16,14-11-8-5-2)15-12-9-6-3/h4-12H2,1-3H3,(H3,13,14,15,16).
What are the key properties of N-[bis(butylamino)phosphoryl]butan-1-amine?
N-[bis(butylamino)phosphoryl]butan-1-amine has a molecular weight of 263.37 g/mol, XLogP of 3.26, 12 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(butylamino)phosphoryl]butan-1-amine is sourced from PubChem (CID 15653527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).