N-methyl-4-[6-[methyl(pentyl)amino]hexoxy]cyclohexan-1-amine

C19H40N2O — CID 70021761

IUPACN-methyl-4-[6-[methyl(pentyl)amino]hexoxy]cyclohexan-1-amine
SMILESCCCCCN(C)CCCCCCOC1CCC(NC)CC1
InChIInChI=1S/C19H40N2O/c1-4-5-8-15-21(3)16-9-6-7-10-17-22-19-13-11-18(20-2)12-14-19/h18-20H,4-17H2,1-3H3
InChIKeyOSAJZLYRIAMTPV-UHFFFAOYSA-N
MW312.54 g/mol
LogP4.22
Rot. Bonds13

About N-methyl-4-[6-[methyl(pentyl)amino]hexoxy]cyclohexan-1-amine

N-methyl-4-[6-[methyl(pentyl)amino]hexoxy]cyclohexan-1-amine (PubChem CID 70021761) has the molecular formula C19H40N2O and a molecular weight of 312.54 g/mol. Its IUPAC name is N-methyl-4-[6-[methyl(pentyl)amino]hexoxy]cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-4-[6-[methyl(pentyl)amino]hexoxy]cyclohexan-1-amine
PubChem CID70021761
Molecular FormulaC19H40N2O
Molecular Weight312.54 g/mol
Exact Mass312.31
IUPAC NameN-methyl-4-[6-[methyl(pentyl)amino]hexoxy]cyclohexan-1-amine
SMILESCCCCCN(C)CCCCCCOC1CCC(NC)CC1
InChIInChI=1S/C19H40N2O/c1-4-5-8-15-21(3)16-9-6-7-10-17-22-19-13-11-18(20-2)12-14-19/h18-20H,4-17H2,1-3H3
InChIKeyOSAJZLYRIAMTPV-UHFFFAOYSA-N
XLogP4.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.54
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

heptoxycyclopropane
CID 54099544
1-ethoxy-4-hexoxycyclohexane
CID 147022477
4-(methoxymethyl)-N-[4-[6-[methyl(pentyl)amino]hexoxy]cyclohexyl]benzamide
CID 70020547
3-heptoxy-N-methylcyclobutan-1-amine
CID 66356812
4-[6-[methyl(pentyl)amino]hexoxy]piperidine-1-sulfonic acid
CID 70012762
3-cyclohexyloxy-N-methyl-N-propylpropan-1-amine
CID 167156587
methyl-[4-[4-[methyl(propyl)amino]butoxy]cyclohexyl]carbamic acid
CID 20760582
pentadecoxycyclopentane
CID 155570194
octoxycyclopentane
CID 14691467
N-cyclopropyl-N'-methyl-N'-pentylbutane-1,4-diamine
CID 62420379
1-ethyl-4-hexoxycyclohexane
CID 142019346
N,N'-dimethyl-N,N'-dioctyldecane-1,10-diamine
CID 19772875

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[6-[methyl(pentyl)amino]hexoxy]cyclohexan-1-amine?
The IUPAC name of N-methyl-4-[6-[methyl(pentyl)amino]hexoxy]cyclohexan-1-amine (CID 70021761) is N-methyl-4-[6-[methyl(pentyl)amino]hexoxy]cyclohexan-1-amine.
What is the SMILES notation for N-methyl-4-[6-[methyl(pentyl)amino]hexoxy]cyclohexan-1-amine?
The canonical SMILES for N-methyl-4-[6-[methyl(pentyl)amino]hexoxy]cyclohexan-1-amine is CCCCCN(C)CCCCCCOC1CCC(NC)CC1.
What is the InChIKey of N-methyl-4-[6-[methyl(pentyl)amino]hexoxy]cyclohexan-1-amine?
The InChIKey is OSAJZLYRIAMTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2O/c1-4-5-8-15-21(3)16-9-6-7-10-17-22-19-13-11-18(20-2)12-14-19/h18-20H,4-17H2,1-3H3.
What are the key properties of N-methyl-4-[6-[methyl(pentyl)amino]hexoxy]cyclohexan-1-amine?
N-methyl-4-[6-[methyl(pentyl)amino]hexoxy]cyclohexan-1-amine has a molecular weight of 312.54 g/mol, XLogP of 4.22, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[6-[methyl(pentyl)amino]hexoxy]cyclohexan-1-amine is sourced from PubChem (CID 70021761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).