N-(3-propan-2-yloxypropyl)cycloheptanamine

C13H27NO — CID 28726587

IUPACN-(3-propan-2-yloxypropyl)cycloheptanamine
SMILESCC(C)OCCCNC1CCCCCC1
InChIInChI=1S/C13H27NO/c1-12(2)15-11-7-10-14-13-8-5-3-4-6-9-13/h12-14H,3-11H2,1-2H3
InChIKeyXZGKKRXCWBHTRN-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.11
Rot. Bonds6

About N-(3-propan-2-yloxypropyl)cycloheptanamine

N-(3-propan-2-yloxypropyl)cycloheptanamine (PubChem CID 28726587) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-(3-propan-2-yloxypropyl)cycloheptanamine.

Molecular Properties

Compound NameN-(3-propan-2-yloxypropyl)cycloheptanamine
PubChem CID28726587
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-(3-propan-2-yloxypropyl)cycloheptanamine
SMILESCC(C)OCCCNC1CCCCCC1
InChIInChI=1S/C13H27NO/c1-12(2)15-11-7-10-14-13-8-5-3-4-6-9-13/h12-14H,3-11H2,1-2H3
InChIKeyXZGKKRXCWBHTRN-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-cyclohexylethyl)-3-propan-2-yloxypropan-1-amine
CID 43771372
N-cyclohexyl-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 80709224
N-[3-(2-methylpropoxy)propyl]cyclopentanamine
CID 28681533
2-methyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine
CID 43183143
1-[4-(3-propan-2-yloxypropylamino)piperidin-1-yl]ethanone
CID 25219591
1-N-(4-propan-2-yloxybutyl)cyclohexane-1,3-diamine
CID 106007565
2-methoxy-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine
CID 43771411
3-ethyl-N-(3-propan-2-yloxypropyl)cyclopentan-1-amine
CID 64501869
N'-cyclododecyl-N-(3-propan-2-yloxypropyl)oxamide
CID 108517389
N-(3-cycloheptyloxypropyl)cyclohexanamine
CID 62583654
N-(3-cyclohexyloxypropyl)cyclopentanamine
CID 28720049
O-[3-(cyclohexylamino)propyl]hydroxylamine
CID 139932359

Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-yloxypropyl)cycloheptanamine?
The IUPAC name of N-(3-propan-2-yloxypropyl)cycloheptanamine (CID 28726587) is N-(3-propan-2-yloxypropyl)cycloheptanamine.
What is the SMILES notation for N-(3-propan-2-yloxypropyl)cycloheptanamine?
The canonical SMILES for N-(3-propan-2-yloxypropyl)cycloheptanamine is CC(C)OCCCNC1CCCCCC1.
What is the InChIKey of N-(3-propan-2-yloxypropyl)cycloheptanamine?
The InChIKey is XZGKKRXCWBHTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-12(2)15-11-7-10-14-13-8-5-3-4-6-9-13/h12-14H,3-11H2,1-2H3.
What are the key properties of N-(3-propan-2-yloxypropyl)cycloheptanamine?
N-(3-propan-2-yloxypropyl)cycloheptanamine has a molecular weight of 213.36 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-yloxypropyl)cycloheptanamine is sourced from PubChem (CID 28726587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).