2-N-methyl-1-N,1-N-bis(2-methylpropyl)butane-1,2-diamine

C13H30N2 — CID 62039490

IUPAC2-N-methyl-1-N,1-N-bis(2-methylpropyl)butane-1,2-diamine
SMILESCCC(CN(CC(C)C)CC(C)C)NC
InChIInChI=1S/C13H30N2/c1-7-13(14-6)10-15(8-11(2)3)9-12(4)5/h11-14H,7-10H2,1-6H3
InChIKeyBBTYJRIDVKVXQN-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.60
Rot. Bonds8

About 2-N-methyl-1-N,1-N-bis(2-methylpropyl)butane-1,2-diamine

2-N-methyl-1-N,1-N-bis(2-methylpropyl)butane-1,2-diamine (PubChem CID 62039490) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is 2-N-methyl-1-N,1-N-bis(2-methylpropyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-1-N,1-N-bis(2-methylpropyl)butane-1,2-diamine
PubChem CID62039490
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC Name2-N-methyl-1-N,1-N-bis(2-methylpropyl)butane-1,2-diamine
SMILESCCC(CN(CC(C)C)CC(C)C)NC
InChIInChI=1S/C13H30N2/c1-7-13(14-6)10-15(8-11(2)3)9-12(4)5/h11-14H,7-10H2,1-6H3
InChIKeyBBTYJRIDVKVXQN-UHFFFAOYSA-N
XLogP2.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-methyl-1-N-(2-methylpropyl)-1-N-propan-2-ylbutane-1,2-diamine
CID 62039501
alumane;2-methyl-N,N-bis(2-methylpropyl)propan-1-amine
CID 158194503
molecular hydrogen;(2S)-1-N,1-N,2-N-trimethylbutane-1,2-diamine
CID 176566866
1-N-[2-(dimethylamino)ethyl]-1-N,2-N-dimethylbutane-1,2-diamine
CID 63694501
1-N-ethyl-1-N-(2-methoxyethyl)-2-N-methylbutane-1,2-diamine
CID 62038439
1-N-(2,4-dimethylpentyl)-1-N-ethyl-3-N-methylpentane-1,3-diamine
CID 123593300
N,5,7-trimethyloctan-3-amine
CID 123511770
N'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)-N-pentan-3-ylethane-1,2-diamine
CID 55089675
N-methyl-1-(2-methylpropylsulfanyl)butan-2-amine
CID 64610491
1-N,1-N-diethyl-3-N-methylpentane-1,3-diamine
CID 79087133
N,N,N',N'-tetrakis(2-methylpropyl)ethane-1,2-diamine
CID 18709992
1-N-(2-aminopropyl)-1-N-(2-methylpropyl)propane-1,2-diamine
CID 18411129

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-1-N,1-N-bis(2-methylpropyl)butane-1,2-diamine?
The IUPAC name of 2-N-methyl-1-N,1-N-bis(2-methylpropyl)butane-1,2-diamine (CID 62039490) is 2-N-methyl-1-N,1-N-bis(2-methylpropyl)butane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-1-N,1-N-bis(2-methylpropyl)butane-1,2-diamine?
The canonical SMILES for 2-N-methyl-1-N,1-N-bis(2-methylpropyl)butane-1,2-diamine is CCC(CN(CC(C)C)CC(C)C)NC.
What is the InChIKey of 2-N-methyl-1-N,1-N-bis(2-methylpropyl)butane-1,2-diamine?
The InChIKey is BBTYJRIDVKVXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-7-13(14-6)10-15(8-11(2)3)9-12(4)5/h11-14H,7-10H2,1-6H3.
What are the key properties of 2-N-methyl-1-N,1-N-bis(2-methylpropyl)butane-1,2-diamine?
2-N-methyl-1-N,1-N-bis(2-methylpropyl)butane-1,2-diamine has a molecular weight of 214.40 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-1-N,1-N-bis(2-methylpropyl)butane-1,2-diamine is sourced from PubChem (CID 62039490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).