1-N'-butan-2-yl-1-N-propylbutane-1,1-diamine

C11H26N2 — CID 154626252

IUPAC1-N'-butan-2-yl-1-N-propylbutane-1,1-diamine
SMILESCCCNC(CCC)NC(C)CC
InChIInChI=1S/C11H26N2/c1-5-8-11(12-9-6-2)13-10(4)7-3/h10-13H,5-9H2,1-4H3
InChIKeyNSVNVHKMHYPBHG-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.50
Rot. Bonds8

About 1-N'-butan-2-yl-1-N-propylbutane-1,1-diamine

1-N'-butan-2-yl-1-N-propylbutane-1,1-diamine (PubChem CID 154626252) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is 1-N'-butan-2-yl-1-N-propylbutane-1,1-diamine.

Molecular Properties

Compound Name1-N'-butan-2-yl-1-N-propylbutane-1,1-diamine
PubChem CID154626252
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Name1-N'-butan-2-yl-1-N-propylbutane-1,1-diamine
SMILESCCCNC(CCC)NC(C)CC
InChIInChI=1S/C11H26N2/c1-5-8-11(12-9-6-2)13-10(4)7-3/h10-13H,5-9H2,1-4H3
InChIKeyNSVNVHKMHYPBHG-UHFFFAOYSA-N
XLogP2.50
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-N'-butan-2-yl-1-N-ethylbutane-1,1-diamine
CID 154626445
1-N,1-N'-dipropylbutane-1,1-diamine
CID 154626428
1-N-butan-2-yl-1-N'-(2-methylbutan-2-yl)butane-1,1-diamine
CID 154626201
N-butan-2-ylheptan-4-amine
CID 43190303
(2H)iodane;N-propylbutan-2-amine
CID 160782338
1-N-butan-2-yl-2-N-propylpropane-1,2-diamine
CID 62568833
1-N'-butan-2-yl-1-N-propan-2-ylpropane-1,1-diamine
CID 154626442
4,5-dimethyl-N-propylheptan-2-amine
CID 79443938
1-(butan-2-ylamino)pentan-2-ol
CID 21435603
4,6-dimethyl-N-propyloctan-2-amine
CID 64720545
2-N-butan-2-ylpentane-1,2-diamine
CID 65385176
1-N,1-N'-bis(2-aminoethyl)butane-1,1-diamine
CID 141030992

Frequently Asked Questions

What is the IUPAC name of 1-N'-butan-2-yl-1-N-propylbutane-1,1-diamine?
The IUPAC name of 1-N'-butan-2-yl-1-N-propylbutane-1,1-diamine (CID 154626252) is 1-N'-butan-2-yl-1-N-propylbutane-1,1-diamine.
What is the SMILES notation for 1-N'-butan-2-yl-1-N-propylbutane-1,1-diamine?
The canonical SMILES for 1-N'-butan-2-yl-1-N-propylbutane-1,1-diamine is CCCNC(CCC)NC(C)CC.
What is the InChIKey of 1-N'-butan-2-yl-1-N-propylbutane-1,1-diamine?
The InChIKey is NSVNVHKMHYPBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-5-8-11(12-9-6-2)13-10(4)7-3/h10-13H,5-9H2,1-4H3.
What are the key properties of 1-N'-butan-2-yl-1-N-propylbutane-1,1-diamine?
1-N'-butan-2-yl-1-N-propylbutane-1,1-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-butan-2-yl-1-N-propylbutane-1,1-diamine is sourced from PubChem (CID 154626252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).