N-[5-(1,4-oxazepan-4-yl)pentyl]cyclopropanamine

C13H26N2O — CID 62972668

IUPACN-[5-(1,4-oxazepan-4-yl)pentyl]cyclopropanamine
SMILESC(CCNC1CC1)CCN1CCCOCC1
InChIInChI=1S/C13H26N2O/c1(2-7-14-13-5-6-13)3-8-15-9-4-11-16-12-10-15/h13-14H,1-12H2
InChIKeyVYEUPBWLZPMWBW-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.63
Rot. Bonds7

About N-[5-(1,4-oxazepan-4-yl)pentyl]cyclopropanamine

N-[5-(1,4-oxazepan-4-yl)pentyl]cyclopropanamine (PubChem CID 62972668) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-[5-(1,4-oxazepan-4-yl)pentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[5-(1,4-oxazepan-4-yl)pentyl]cyclopropanamine
PubChem CID62972668
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-[5-(1,4-oxazepan-4-yl)pentyl]cyclopropanamine
SMILESC(CCNC1CC1)CCN1CCCOCC1
InChIInChI=1S/C13H26N2O/c1(2-7-14-13-5-6-13)3-8-15-9-4-11-16-12-10-15/h13-14H,1-12H2
InChIKeyVYEUPBWLZPMWBW-UHFFFAOYSA-N
XLogP1.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.63
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

N-[2-(1,4-oxazepan-4-yl)ethyl]cyclopropanamine
CID 62987458
N-[5-(azocan-1-yl)pentyl]cyclopropanamine
CID 55070436
N-(3-morpholin-4-ylpropyl)oxan-4-amine
CID 18349139
N-(3-morpholin-4-ylpropyl)-4-propylcyclohexan-1-amine
CID 28672998
cis-(1S,3R)-3-methyl-N-(3-morpholin-4-ylpropyl)cyclopentan-1-amine
CID 30980577
N-(2-pyrrolidin-1-ylethyl)oxan-4-amine
CID 43608501
4-hexyl-1,4-oxazepane
CID 166849903
N-[4-(4-propylpiperazin-1-yl)butyl]cyclopropanamine
CID 62424326
N-[4-(4-methoxypiperidin-1-yl)butyl]cyclopropanamine
CID 62422445
N-(2-piperidin-1-ylethyl)oxepan-4-amine
CID 65081716
16-[10-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)decyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 15145347
4,4-dimethyl-N-(2-morpholin-4-ylethyl)cycloheptan-1-amine
CID 65082758

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,4-oxazepan-4-yl)pentyl]cyclopropanamine?
The IUPAC name of N-[5-(1,4-oxazepan-4-yl)pentyl]cyclopropanamine (CID 62972668) is N-[5-(1,4-oxazepan-4-yl)pentyl]cyclopropanamine.
What is the SMILES notation for N-[5-(1,4-oxazepan-4-yl)pentyl]cyclopropanamine?
The canonical SMILES for N-[5-(1,4-oxazepan-4-yl)pentyl]cyclopropanamine is C(CCNC1CC1)CCN1CCCOCC1.
What is the InChIKey of N-[5-(1,4-oxazepan-4-yl)pentyl]cyclopropanamine?
The InChIKey is VYEUPBWLZPMWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1(2-7-14-13-5-6-13)3-8-15-9-4-11-16-12-10-15/h13-14H,1-12H2.
What are the key properties of N-[5-(1,4-oxazepan-4-yl)pentyl]cyclopropanamine?
N-[5-(1,4-oxazepan-4-yl)pentyl]cyclopropanamine has a molecular weight of 226.36 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,4-oxazepan-4-yl)pentyl]cyclopropanamine is sourced from PubChem (CID 62972668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).