N',N'-bis(cyclopropylmethyl)-2,2-dimethylbutane-1,4-diamine

C14H28N2 — CID 65247386

IUPACN',N'-bis(cyclopropylmethyl)-2,2-dimethylbutane-1,4-diamine
SMILESCC(C)(CN)CCN(CC1CC1)CC1CC1
InChIInChI=1S/C14H28N2/c1-14(2,11-15)7-8-16(9-12-3-4-12)10-13-5-6-13/h12-13H,3-11,15H2,1-2H3
InChIKeyVERLBHASTDIWHO-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.48
Rot. Bonds8

About N',N'-bis(cyclopropylmethyl)-2,2-dimethylbutane-1,4-diamine

N',N'-bis(cyclopropylmethyl)-2,2-dimethylbutane-1,4-diamine (PubChem CID 65247386) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N',N'-bis(cyclopropylmethyl)-2,2-dimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN',N'-bis(cyclopropylmethyl)-2,2-dimethylbutane-1,4-diamine
PubChem CID65247386
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN',N'-bis(cyclopropylmethyl)-2,2-dimethylbutane-1,4-diamine
SMILESCC(C)(CN)CCN(CC1CC1)CC1CC1
InChIInChI=1S/C14H28N2/c1-14(2,11-15)7-8-16(9-12-3-4-12)10-13-5-6-13/h12-13H,3-11,15H2,1-2H3
InChIKeyVERLBHASTDIWHO-UHFFFAOYSA-N
XLogP2.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(cyclopropylmethyl)-2,2-dimethyl-N'-propylpentane-1,5-diamine
CID 65254511
N'-(cyclopropylmethyl)-2,2-dimethyl-N'-propylhexane-1,6-diamine
CID 106707901
2-amino-4-[bis(cyclopropylmethyl)amino]-2-methylbutan-1-ol
CID 64791232
N'-(cyclopropylmethyl)-2,2-dimethyl-N'-propan-2-ylpentane-1,5-diamine
CID 65254258
N'-cyclopropyl-N',2,2-trimethylbutane-1,4-diamine
CID 65246811
4-[bis(cyclopropylmethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77061941
N',2,2-trimethyl-N'-(oxolan-2-ylmethyl)butane-1,4-diamine
CID 65246933
N',N',2,2-tetramethylbutane-1,4-diamine
CID 65250173
2-[(4-amino-3,3-dimethylbutyl)-(2-amino-2-oxoethyl)amino]acetamide
CID 65246887
N'-(cyclopropylmethyl)-2,2-diethyl-N'-propylpropane-1,3-diamine
CID 62258479
N'-(1-ethylpiperidin-4-yl)-N',2,2-trimethylbutane-1,4-diamine
CID 65246884
4-[cyclopropylmethyl(propyl)amino]-2,2-dimethylbutanimidamide
CID 65252334

Frequently Asked Questions

What is the IUPAC name of N',N'-bis(cyclopropylmethyl)-2,2-dimethylbutane-1,4-diamine?
The IUPAC name of N',N'-bis(cyclopropylmethyl)-2,2-dimethylbutane-1,4-diamine (CID 65247386) is N',N'-bis(cyclopropylmethyl)-2,2-dimethylbutane-1,4-diamine.
What is the SMILES notation for N',N'-bis(cyclopropylmethyl)-2,2-dimethylbutane-1,4-diamine?
The canonical SMILES for N',N'-bis(cyclopropylmethyl)-2,2-dimethylbutane-1,4-diamine is CC(C)(CN)CCN(CC1CC1)CC1CC1.
What is the InChIKey of N',N'-bis(cyclopropylmethyl)-2,2-dimethylbutane-1,4-diamine?
The InChIKey is VERLBHASTDIWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-14(2,11-15)7-8-16(9-12-3-4-12)10-13-5-6-13/h12-13H,3-11,15H2,1-2H3.
What are the key properties of N',N'-bis(cyclopropylmethyl)-2,2-dimethylbutane-1,4-diamine?
N',N'-bis(cyclopropylmethyl)-2,2-dimethylbutane-1,4-diamine has a molecular weight of 224.39 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis(cyclopropylmethyl)-2,2-dimethylbutane-1,4-diamine is sourced from PubChem (CID 65247386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).