2-N-(cyclopropylmethyl)-2,3-dimethyl-2-N-propylbutane-1,2-diamine

C13H28N2 — CID 60709914

IUPAC2-N-(cyclopropylmethyl)-2,3-dimethyl-2-N-propylbutane-1,2-diamine
SMILESCCCN(CC1CC1)C(C)(CN)C(C)C
InChIInChI=1S/C13H28N2/c1-5-8-15(9-12-6-7-12)13(4,10-14)11(2)3/h11-12H,5-10,14H2,1-4H3
InChIKeySHRDJMUOVJHGAP-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.48
Rot. Bonds7

About 2-N-(cyclopropylmethyl)-2,3-dimethyl-2-N-propylbutane-1,2-diamine

2-N-(cyclopropylmethyl)-2,3-dimethyl-2-N-propylbutane-1,2-diamine (PubChem CID 60709914) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 2-N-(cyclopropylmethyl)-2,3-dimethyl-2-N-propylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(cyclopropylmethyl)-2,3-dimethyl-2-N-propylbutane-1,2-diamine
PubChem CID60709914
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name2-N-(cyclopropylmethyl)-2,3-dimethyl-2-N-propylbutane-1,2-diamine
SMILESCCCN(CC1CC1)C(C)(CN)C(C)C
InChIInChI=1S/C13H28N2/c1-5-8-15(9-12-6-7-12)13(4,10-14)11(2)3/h11-12H,5-10,14H2,1-4H3
InChIKeySHRDJMUOVJHGAP-UHFFFAOYSA-N
XLogP2.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(cyclopropylmethyl)-2,5-dimethyl-2-N-propylhexane-1,2-diamine
CID 60709986
2-N-butyl-2-N-ethyl-2,3-dimethylbutane-1,2-diamine
CID 60710048
2,3-dimethyl-2-N-propan-2-yl-2-N-propylbutane-1,2-diamine
CID 61352566
2-N-(cyclopropylmethyl)-2-N-ethyl-2,5-dimethylhexane-1,2-diamine
CID 63956765
N-[[4-(aminomethyl)cyclohexyl]methyl]-N-propan-2-ylpropan-1-amine
CID 79527070
1,1-di(cyclobutyl)-N-ethyl-N-propylethane-1,2-diamine
CID 112743289
N'-(cyclopropylmethyl)-2,2-dimethyl-N'-propylpentane-1,5-diamine
CID 65254511
3,3-dimethoxy-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine
CID 66181214
2-N-(cyclopropylmethyl)-4-methoxy-3-methyl-2-N-propylbutane-1,2-diamine
CID 116501671
N'-(cyclopropylmethyl)-2,2-dimethyl-N'-propylhexane-1,6-diamine
CID 106707901
2-[cyclopropylmethyl(propyl)amino]-2-ethylbutanoic acid
CID 114988470
N'-(cyclopropylmethyl)-2,2-diethyl-N'-propylpropane-1,3-diamine
CID 62258479

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclopropylmethyl)-2,3-dimethyl-2-N-propylbutane-1,2-diamine?
The IUPAC name of 2-N-(cyclopropylmethyl)-2,3-dimethyl-2-N-propylbutane-1,2-diamine (CID 60709914) is 2-N-(cyclopropylmethyl)-2,3-dimethyl-2-N-propylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(cyclopropylmethyl)-2,3-dimethyl-2-N-propylbutane-1,2-diamine?
The canonical SMILES for 2-N-(cyclopropylmethyl)-2,3-dimethyl-2-N-propylbutane-1,2-diamine is CCCN(CC1CC1)C(C)(CN)C(C)C.
What is the InChIKey of 2-N-(cyclopropylmethyl)-2,3-dimethyl-2-N-propylbutane-1,2-diamine?
The InChIKey is SHRDJMUOVJHGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-5-8-15(9-12-6-7-12)13(4,10-14)11(2)3/h11-12H,5-10,14H2,1-4H3.
What are the key properties of 2-N-(cyclopropylmethyl)-2,3-dimethyl-2-N-propylbutane-1,2-diamine?
2-N-(cyclopropylmethyl)-2,3-dimethyl-2-N-propylbutane-1,2-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclopropylmethyl)-2,3-dimethyl-2-N-propylbutane-1,2-diamine is sourced from PubChem (CID 60709914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).