N-[(3-tert-butylcyclobutyl)methyl]propan-1-amine

C12H25N — CID 65014740

IUPACN-[(3-tert-butylcyclobutyl)methyl]propan-1-amine
SMILESCCCNCC1CC(C(C)(C)C)C1
InChIInChI=1S/C12H25N/c1-5-6-13-9-10-7-11(8-10)12(2,3)4/h10-11,13H,5-9H2,1-4H3
InChIKeyHNANILBWNQKYKF-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.06
Rot. Bonds4

About N-[(3-tert-butylcyclobutyl)methyl]propan-1-amine

N-[(3-tert-butylcyclobutyl)methyl]propan-1-amine (PubChem CID 65014740) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N-[(3-tert-butylcyclobutyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-tert-butylcyclobutyl)methyl]propan-1-amine
PubChem CID65014740
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN-[(3-tert-butylcyclobutyl)methyl]propan-1-amine
SMILESCCCNCC1CC(C(C)(C)C)C1
InChIInChI=1S/C12H25N/c1-5-6-13-9-10-7-11(8-10)12(2,3)4/h10-11,13H,5-9H2,1-4H3
InChIKeyHNANILBWNQKYKF-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-tert-butylcyclohexyl)methyl]propan-1-amine
CID 63506241
1,3-ditert-butyl-5-ethylcyclohexane
CID 123167626
1-tert-butyl-3-[(3-tert-butylcyclobutyl)methyl]cyclobutane
CID 59391818
N-[[(1R,2S)-2-methylcyclopropyl]methyl]propan-1-amine
CID 93261342
N-[[4-tert-butyl-2-(ethoxymethyl)cyclohexyl]methyl]propan-1-amine
CID 81030913
N-[[4-(methylaminomethyl)cyclohexyl]methyl]propan-1-amine
CID 123988993
N-[(1-methylazetidin-3-yl)methyl]propan-1-amine
CID 131142144
3-[[(4-tert-butylcyclohexyl)methylamino]methyl]cyclobutan-1-ol
CID 113428497
tert-butyl 4-(propylaminomethyl)piperidine-1-carboxylate
CID 66960433
N'-(cyclohexylmethyl)-N-propylethane-1,2-diamine
CID 62559758
N-[[4-tert-butyl-2-(2-methylpentyl)cyclohexyl]methyl]propan-1-amine
CID 81022950
N-[(4-tert-butyl-2-pent-3-ynylcyclohexyl)methyl]propan-1-amine
CID 104813979

Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butylcyclobutyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-tert-butylcyclobutyl)methyl]propan-1-amine (CID 65014740) is N-[(3-tert-butylcyclobutyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-tert-butylcyclobutyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-tert-butylcyclobutyl)methyl]propan-1-amine is CCCNCC1CC(C(C)(C)C)C1.
What is the InChIKey of N-[(3-tert-butylcyclobutyl)methyl]propan-1-amine?
The InChIKey is HNANILBWNQKYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-5-6-13-9-10-7-11(8-10)12(2,3)4/h10-11,13H,5-9H2,1-4H3.
What are the key properties of N-[(3-tert-butylcyclobutyl)methyl]propan-1-amine?
N-[(3-tert-butylcyclobutyl)methyl]propan-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butylcyclobutyl)methyl]propan-1-amine is sourced from PubChem (CID 65014740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).