1-N,3,3-trimethyl-1-N-pentan-3-ylbutane-1,2-diamine

C12H28N2 — CID 43570997

IUPAC1-N,3,3-trimethyl-1-N-pentan-3-ylbutane-1,2-diamine
SMILESCCC(CC)N(C)CC(N)C(C)(C)C
InChIInChI=1S/C12H28N2/c1-7-10(8-2)14(6)9-11(13)12(3,4)5/h10-11H,7-9,13H2,1-6H3
InChIKeyZKCLMXZCDUYFPU-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.48
Rot. Bonds5

About 1-N,3,3-trimethyl-1-N-pentan-3-ylbutane-1,2-diamine

1-N,3,3-trimethyl-1-N-pentan-3-ylbutane-1,2-diamine (PubChem CID 43570997) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is 1-N,3,3-trimethyl-1-N-pentan-3-ylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N,3,3-trimethyl-1-N-pentan-3-ylbutane-1,2-diamine
PubChem CID43570997
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Name1-N,3,3-trimethyl-1-N-pentan-3-ylbutane-1,2-diamine
SMILESCCC(CC)N(C)CC(N)C(C)(C)C
InChIInChI=1S/C12H28N2/c1-7-10(8-2)14(6)9-11(13)12(3,4)5/h10-11H,7-9,13H2,1-6H3
InChIKeyZKCLMXZCDUYFPU-UHFFFAOYSA-N
XLogP2.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-2-amino-3,3-dimethylbutyl]dimethylamine
CID 30428933
N,N'-Bis(3,3-dimethyl-2-butyl)-ethylenediamine
CID 469908
(2-Aminopropyl)(butyl)methylamine
CID 20117265
2-Tert-butyl-1,4,7,10-tetrazacyclododecane
CID 44453868
(1-Amino-4-methylpentan-2-yl)diethylamine
CID 42933681
(S)-N1,N1-Diethyl-3,3-dimethylbutane-1,2-diamine
CID 28108189
6-Diethylamino-a-methyl-butylamine
CID 43650397
(2S)-1-N-cyclohexyl-3,3-dimethylbutane-1,2-diamine
CID 70677976
(2S)-3,3-dimethyl-1-N,1-N-di(propan-2-yl)butane-1,2-diamine
CID 102199376
1-cyclopropyl-N'-(3,3-dimethylbutan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 75382833
3-Tert-butyl-1-methylpiperazine
CID 45099455
2-Tert-butyl-1-methylpiperazine
CID 64834162

Frequently Asked Questions

What is the IUPAC name of 1-N,3,3-trimethyl-1-N-pentan-3-ylbutane-1,2-diamine?
The IUPAC name of 1-N,3,3-trimethyl-1-N-pentan-3-ylbutane-1,2-diamine (CID 43570997) is 1-N,3,3-trimethyl-1-N-pentan-3-ylbutane-1,2-diamine.
What is the SMILES notation for 1-N,3,3-trimethyl-1-N-pentan-3-ylbutane-1,2-diamine?
The canonical SMILES for 1-N,3,3-trimethyl-1-N-pentan-3-ylbutane-1,2-diamine is CCC(CC)N(C)CC(N)C(C)(C)C.
What is the InChIKey of 1-N,3,3-trimethyl-1-N-pentan-3-ylbutane-1,2-diamine?
The InChIKey is ZKCLMXZCDUYFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-7-10(8-2)14(6)9-11(13)12(3,4)5/h10-11H,7-9,13H2,1-6H3.
What are the key properties of 1-N,3,3-trimethyl-1-N-pentan-3-ylbutane-1,2-diamine?
1-N,3,3-trimethyl-1-N-pentan-3-ylbutane-1,2-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3,3-trimethyl-1-N-pentan-3-ylbutane-1,2-diamine is sourced from PubChem (CID 43570997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).