1-N-butan-2-yl-1-N-butyl-2,2-dimethylbutane-1,3-diamine

C14H32N2 — CID 66453228

IUPAC1-N-butan-2-yl-1-N-butyl-2,2-dimethylbutane-1,3-diamine
SMILESCCCCN(CC(C)(C)C(C)N)C(C)CC
InChIInChI=1S/C14H32N2/c1-7-9-10-16(12(3)8-2)11-14(5,6)13(4)15/h12-13H,7-11,15H2,1-6H3
InChIKeyRTWRXNXGQDMTNU-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.26
Rot. Bonds8

About 1-N-butan-2-yl-1-N-butyl-2,2-dimethylbutane-1,3-diamine

1-N-butan-2-yl-1-N-butyl-2,2-dimethylbutane-1,3-diamine (PubChem CID 66453228) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is 1-N-butan-2-yl-1-N-butyl-2,2-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N-butan-2-yl-1-N-butyl-2,2-dimethylbutane-1,3-diamine
PubChem CID66453228
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC Name1-N-butan-2-yl-1-N-butyl-2,2-dimethylbutane-1,3-diamine
SMILESCCCCN(CC(C)(C)C(C)N)C(C)CC
InChIInChI=1S/C14H32N2/c1-7-9-10-16(12(3)8-2)11-14(5,6)13(4)15/h12-13H,7-11,15H2,1-6H3
InChIKeyRTWRXNXGQDMTNU-UHFFFAOYSA-N
XLogP3.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(2-methoxyethyl)-1-N-(1-methoxypropan-2-yl)-2,2-dimethylbutane-1,3-diamine
CID 66453433
1-N',1-N'-dibutylethane-1,1-diamine
CID 22600656
3-[butan-2-yl(butyl)amino]-2-(ethylamino)-2-methylpropan-1-ol
CID 64827631
1-amino-4-[butan-2-yl(butyl)amino]-2-methylbutan-2-ol
CID 64821823
N-butan-2-yl-N-butyl-2-methyl-N',2-dipropylpropane-1,3-diamine
CID 63493237
4-[butan-2-yl(butyl)amino]-2,2-dimethylbutanethioamide
CID 65249143
2-amino-3-[butan-2-yl(butyl)amino]-2-cyclopropylpropanamide
CID 63919688
4-N,4-N-dibutylpentane-2,4-diamine
CID 64708414
3-[butan-2-yl(butyl)amino]propanamide
CID 60648074
N'-butan-2-yl-N'-butyl-2-ethylbutane-1,4-diamine
CID 81080597
N'-butan-2-yl-N'-butyl-2-ethoxybutane-1,4-diamine
CID 63070467
1-amino-4-[butan-2-yl(butyl)amino]butan-2-ol
CID 64818690

Frequently Asked Questions

What is the IUPAC name of 1-N-butan-2-yl-1-N-butyl-2,2-dimethylbutane-1,3-diamine?
The IUPAC name of 1-N-butan-2-yl-1-N-butyl-2,2-dimethylbutane-1,3-diamine (CID 66453228) is 1-N-butan-2-yl-1-N-butyl-2,2-dimethylbutane-1,3-diamine.
What is the SMILES notation for 1-N-butan-2-yl-1-N-butyl-2,2-dimethylbutane-1,3-diamine?
The canonical SMILES for 1-N-butan-2-yl-1-N-butyl-2,2-dimethylbutane-1,3-diamine is CCCCN(CC(C)(C)C(C)N)C(C)CC.
What is the InChIKey of 1-N-butan-2-yl-1-N-butyl-2,2-dimethylbutane-1,3-diamine?
The InChIKey is RTWRXNXGQDMTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-7-9-10-16(12(3)8-2)11-14(5,6)13(4)15/h12-13H,7-11,15H2,1-6H3.
What are the key properties of 1-N-butan-2-yl-1-N-butyl-2,2-dimethylbutane-1,3-diamine?
1-N-butan-2-yl-1-N-butyl-2,2-dimethylbutane-1,3-diamine has a molecular weight of 228.42 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butan-2-yl-1-N-butyl-2,2-dimethylbutane-1,3-diamine is sourced from PubChem (CID 66453228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).