1-(2-methylbutyl)azocan-5-amine

C12H26N2 — CID 138578354

IUPAC1-(2-methylbutyl)azocan-5-amine
SMILESCCC(C)CN1CCCC(N)CCC1
InChIInChI=1S/C12H26N2/c1-3-11(2)10-14-8-4-6-12(13)7-5-9-14/h11-12H,3-10,13H2,1-2H3
InChIKeyWOUDWKNWFGJFER-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.24
Rot. Bonds3

About 1-(2-methylbutyl)azocan-5-amine

1-(2-methylbutyl)azocan-5-amine (PubChem CID 138578354) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-(2-methylbutyl)azocan-5-amine.

Molecular Properties

Compound Name1-(2-methylbutyl)azocan-5-amine
PubChem CID138578354
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-(2-methylbutyl)azocan-5-amine
SMILESCCC(C)CN1CCCC(N)CCC1
InChIInChI=1S/C12H26N2/c1-3-11(2)10-14-8-4-6-12(13)7-5-9-14/h11-12H,3-10,13H2,1-2H3
InChIKeyWOUDWKNWFGJFER-UHFFFAOYSA-N
XLogP2.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-bromoethyl)-1-(2-methylbutyl)piperidine
CID 80691877
1-(2-methylbutyl)-4-(3-methylpentyl)piperidine
CID 166678927
4-(1-bromoethyl)-1-(2-methylbutyl)piperidine
CID 106838267
(3R)-1-ethyl-3-[(2S)-2-methylbutyl]piperidine
CID 11789881
1-methyl-4-[(2S)-2-methylbutyl]piperazine
CID 130224614
1-(2-bromoethyl)-4-(2-methylbutyl)-1,4-diazepane
CID 80667299
(2R)-1-[(3R)-3-aminopiperidin-1-yl]propan-2-ol
CID 106933676
1-(3-methyl-2-propan-2-ylbutyl)piperidin-3-amine
CID 102908367
1-[2-(4-propan-2-ylazepan-1-yl)ethyl]piperidin-4-amine
CID 79328072
1-[(3R)-3-aminopiperidin-1-yl]propan-2-ol
CID 102984754
(2R)-1-[(3R)-3-aminopiperidin-1-yl]propan-2-ol;hydrochloride
CID 170983124
1-(2-methylbutyl)piperidine-4-carboxylic acid
CID 62104958

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutyl)azocan-5-amine?
The IUPAC name of 1-(2-methylbutyl)azocan-5-amine (CID 138578354) is 1-(2-methylbutyl)azocan-5-amine.
What is the SMILES notation for 1-(2-methylbutyl)azocan-5-amine?
The canonical SMILES for 1-(2-methylbutyl)azocan-5-amine is CCC(C)CN1CCCC(N)CCC1.
What is the InChIKey of 1-(2-methylbutyl)azocan-5-amine?
The InChIKey is WOUDWKNWFGJFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-3-11(2)10-14-8-4-6-12(13)7-5-9-14/h11-12H,3-10,13H2,1-2H3.
What are the key properties of 1-(2-methylbutyl)azocan-5-amine?
1-(2-methylbutyl)azocan-5-amine has a molecular weight of 198.35 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutyl)azocan-5-amine is sourced from PubChem (CID 138578354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).