N-[[4-tert-butyl-1-(cyclopropylmethoxy)cyclohexyl]methyl]propan-1-amine

C18H35NO — CID 63474602

IUPACN-[[4-tert-butyl-1-(cyclopropylmethoxy)cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(OCC2CC2)CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H35NO/c1-5-12-19-14-18(20-13-15-6-7-15)10-8-16(9-11-18)17(2,3)4/h15-16,19H,5-14H2,1-4H3
InChIKeyURRYFCLJJFTVPL-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.39
Rot. Bonds7

About N-[[4-tert-butyl-1-(cyclopropylmethoxy)cyclohexyl]methyl]propan-1-amine

N-[[4-tert-butyl-1-(cyclopropylmethoxy)cyclohexyl]methyl]propan-1-amine (PubChem CID 63474602) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is N-[[4-tert-butyl-1-(cyclopropylmethoxy)cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-tert-butyl-1-(cyclopropylmethoxy)cyclohexyl]methyl]propan-1-amine
PubChem CID63474602
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC NameN-[[4-tert-butyl-1-(cyclopropylmethoxy)cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(OCC2CC2)CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H35NO/c1-5-12-19-14-18(20-13-15-6-7-15)10-8-16(9-11-18)17(2,3)4/h15-16,19H,5-14H2,1-4H3
InChIKeyURRYFCLJJFTVPL-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.39
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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Frequently Asked Questions

What is the IUPAC name of N-[[4-tert-butyl-1-(cyclopropylmethoxy)cyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-tert-butyl-1-(cyclopropylmethoxy)cyclohexyl]methyl]propan-1-amine (CID 63474602) is N-[[4-tert-butyl-1-(cyclopropylmethoxy)cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-tert-butyl-1-(cyclopropylmethoxy)cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-tert-butyl-1-(cyclopropylmethoxy)cyclohexyl]methyl]propan-1-amine is CCCNCC1(OCC2CC2)CCC(C(C)(C)C)CC1.
What is the InChIKey of N-[[4-tert-butyl-1-(cyclopropylmethoxy)cyclohexyl]methyl]propan-1-amine?
The InChIKey is URRYFCLJJFTVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-5-12-19-14-18(20-13-15-6-7-15)10-8-16(9-11-18)17(2,3)4/h15-16,19H,5-14H2,1-4H3.
What are the key properties of N-[[4-tert-butyl-1-(cyclopropylmethoxy)cyclohexyl]methyl]propan-1-amine?
N-[[4-tert-butyl-1-(cyclopropylmethoxy)cyclohexyl]methyl]propan-1-amine has a molecular weight of 281.48 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-tert-butyl-1-(cyclopropylmethoxy)cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 63474602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).