[7-amino-7-(1-methylcyclodecyl)-1,3-diazepan-4-yl]methanediamine

C17H37N5 — CID 134220098

IUPAC[7-amino-7-(1-methylcyclodecyl)-1,3-diazepan-4-yl]methanediamine
SMILESCC1(C2(N)CCC(C(N)N)NCN2)CCCCCCCCC1
InChIInChI=1S/C17H37N5/c1-16(10-7-5-3-2-4-6-8-11-16)17(20)12-9-14(15(18)19)21-13-22-17/h14-15,21-22H,2-13,18-20H2,1H3
InChIKeyWNPGRSUIEXDBBI-UHFFFAOYSA-N
MW311.52 g/mol
LogP1.71
Rot. Bonds2

About [7-amino-7-(1-methylcyclodecyl)-1,3-diazepan-4-yl]methanediamine

[7-amino-7-(1-methylcyclodecyl)-1,3-diazepan-4-yl]methanediamine (PubChem CID 134220098) has the molecular formula C17H37N5 and a molecular weight of 311.52 g/mol. Its IUPAC name is [7-amino-7-(1-methylcyclodecyl)-1,3-diazepan-4-yl]methanediamine.

Molecular Properties

Compound Name[7-amino-7-(1-methylcyclodecyl)-1,3-diazepan-4-yl]methanediamine
PubChem CID134220098
Molecular FormulaC17H37N5
Molecular Weight311.52 g/mol
Exact Mass311.30
IUPAC Name[7-amino-7-(1-methylcyclodecyl)-1,3-diazepan-4-yl]methanediamine
SMILESCC1(C2(N)CCC(C(N)N)NCN2)CCCCCCCCC1
InChIInChI=1S/C17H37N5/c1-16(10-7-5-3-2-4-6-8-11-16)17(20)12-9-14(15(18)19)21-13-22-17/h14-15,21-22H,2-13,18-20H2,1H3
InChIKeyWNPGRSUIEXDBBI-UHFFFAOYSA-N
XLogP1.71
TPSA102.12 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.52
LogP ≤ 51.71
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethylazocane
CID 123664425
4,4,8,8-tetramethyl-1,3-diazocane
CID 140916782
3-(1-methylcyclodecyl)-7-propan-2-ylazocan-3-amine
CID 134220327
7-methyltricyclo[5.4.0.01,10]undecane
CID 123887295
2-azabicyclo[2.2.2]octan-4-amine;hydrochloride
CID 154703077
1,6-dimethylcyclodecan-1-amine
CID 163518000
1,1-dimethylcyclononane
CID 59289773
(3aR,7aR)-3a,7a-dimethyl-2,3,4,5,6,7-hexahydro-1H-indene
CID 160715479
1,1,7,7-tetramethylcyclopentadecane
CID 123360096
2,2-dimethyl-3-(1-methylcyclohexyl)pyrrolidine
CID 131186368
1-(1,2-dimethylcyclohexyl)cyclohexan-1-amine
CID 67782640
(3R)-4-methyl-1-azaspiro[2.6]nonane
CID 121388588

Frequently Asked Questions

What is the IUPAC name of [7-amino-7-(1-methylcyclodecyl)-1,3-diazepan-4-yl]methanediamine?
The IUPAC name of [7-amino-7-(1-methylcyclodecyl)-1,3-diazepan-4-yl]methanediamine (CID 134220098) is [7-amino-7-(1-methylcyclodecyl)-1,3-diazepan-4-yl]methanediamine.
What is the SMILES notation for [7-amino-7-(1-methylcyclodecyl)-1,3-diazepan-4-yl]methanediamine?
The canonical SMILES for [7-amino-7-(1-methylcyclodecyl)-1,3-diazepan-4-yl]methanediamine is CC1(C2(N)CCC(C(N)N)NCN2)CCCCCCCCC1.
What is the InChIKey of [7-amino-7-(1-methylcyclodecyl)-1,3-diazepan-4-yl]methanediamine?
The InChIKey is WNPGRSUIEXDBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N5/c1-16(10-7-5-3-2-4-6-8-11-16)17(20)12-9-14(15(18)19)21-13-22-17/h14-15,21-22H,2-13,18-20H2,1H3.
What are the key properties of [7-amino-7-(1-methylcyclodecyl)-1,3-diazepan-4-yl]methanediamine?
[7-amino-7-(1-methylcyclodecyl)-1,3-diazepan-4-yl]methanediamine has a molecular weight of 311.52 g/mol, XLogP of 1.71, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-amino-7-(1-methylcyclodecyl)-1,3-diazepan-4-yl]methanediamine is sourced from PubChem (CID 134220098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).