N-[3-[2-[(propan-2-ylamino)methyl]cyclobutyl]propyl]cyclopropanamine

C14H28N2 — CID 81005326

IUPACN-[3-[2-[(propan-2-ylamino)methyl]cyclobutyl]propyl]cyclopropanamine
SMILESCC(C)NCC1CCC1CCCNC1CC1
InChIInChI=1S/C14H28N2/c1-11(2)16-10-13-6-5-12(13)4-3-9-15-14-7-8-14/h11-16H,3-10H2,1-2H3
InChIKeyCNGWSCMKOSRKKB-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.54
Rot. Bonds8

About N-[3-[2-[(propan-2-ylamino)methyl]cyclobutyl]propyl]cyclopropanamine

N-[3-[2-[(propan-2-ylamino)methyl]cyclobutyl]propyl]cyclopropanamine (PubChem CID 81005326) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-[3-[2-[(propan-2-ylamino)methyl]cyclobutyl]propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-[2-[(propan-2-ylamino)methyl]cyclobutyl]propyl]cyclopropanamine
PubChem CID81005326
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-[3-[2-[(propan-2-ylamino)methyl]cyclobutyl]propyl]cyclopropanamine
SMILESCC(C)NCC1CCC1CCCNC1CC1
InChIInChI=1S/C14H28N2/c1-11(2)16-10-13-6-5-12(13)4-3-9-15-14-7-8-14/h11-16H,3-10H2,1-2H3
InChIKeyCNGWSCMKOSRKKB-UHFFFAOYSA-N
XLogP2.54
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2-(ethylaminomethyl)cyclobutyl]propyl]cyclopropanamine
CID 81005325
N-[[2-(3-methoxypropyl)cyclobutyl]methyl]propan-2-amine
CID 81017330
N-[[2-[3-(oxolan-2-yl)propyl]cyclobutyl]methyl]propan-2-amine
CID 81017533
N'-cyclopropyl-3-methyl-N-propan-2-ylhexane-1,6-diamine
CID 66337356
N-[[2-(3-methylbutyl)cyclopentyl]methyl]propan-2-amine
CID 81034843
N-cyclohexyl-N'-propan-2-ylhexane-1,6-diamine
CID 69171218
N-[(4-methyl-2-nonylcyclohexyl)methyl]propan-2-amine
CID 81034416
N-[(2-hexyl-4-methylcyclohexyl)methyl]propan-2-amine
CID 81031373
N-[(2-octylcyclobutyl)methyl]cyclopropanamine
CID 81017226
3-(2-ethylcyclohexyl)-N-propan-2-ylpropan-1-amine
CID 64502569
N-cyclohexyl-N'-propan-2-ylpropane-1,3-diamine;molecular hydrogen
CID 142089366
N,N'-dicyclopropyl-4-methylheptane-1,7-diamine
CID 66322125

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(propan-2-ylamino)methyl]cyclobutyl]propyl]cyclopropanamine?
The IUPAC name of N-[3-[2-[(propan-2-ylamino)methyl]cyclobutyl]propyl]cyclopropanamine (CID 81005326) is N-[3-[2-[(propan-2-ylamino)methyl]cyclobutyl]propyl]cyclopropanamine.
What is the SMILES notation for N-[3-[2-[(propan-2-ylamino)methyl]cyclobutyl]propyl]cyclopropanamine?
The canonical SMILES for N-[3-[2-[(propan-2-ylamino)methyl]cyclobutyl]propyl]cyclopropanamine is CC(C)NCC1CCC1CCCNC1CC1.
What is the InChIKey of N-[3-[2-[(propan-2-ylamino)methyl]cyclobutyl]propyl]cyclopropanamine?
The InChIKey is CNGWSCMKOSRKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-11(2)16-10-13-6-5-12(13)4-3-9-15-14-7-8-14/h11-16H,3-10H2,1-2H3.
What are the key properties of N-[3-[2-[(propan-2-ylamino)methyl]cyclobutyl]propyl]cyclopropanamine?
N-[3-[2-[(propan-2-ylamino)methyl]cyclobutyl]propyl]cyclopropanamine has a molecular weight of 224.39 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[(propan-2-ylamino)methyl]cyclobutyl]propyl]cyclopropanamine is sourced from PubChem (CID 81005326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).