N-[[1-(bromomethyl)cyclohexyl]methyl]-N-propan-2-ylpropan-1-amine

C14H28BrN — CID 65002013

IUPACN-[[1-(bromomethyl)cyclohexyl]methyl]-N-propan-2-ylpropan-1-amine
SMILESCCCN(CC1(CBr)CCCCC1)C(C)C
InChIInChI=1S/C14H28BrN/c1-4-10-16(13(2)3)12-14(11-15)8-6-5-7-9-14/h13H,4-12H2,1-3H3
InChIKeyYGQSLBZVCAZLMQ-UHFFFAOYSA-N
MW290.29 g/mol
LogP4.45
Rot. Bonds6

About N-[[1-(bromomethyl)cyclohexyl]methyl]-N-propan-2-ylpropan-1-amine

N-[[1-(bromomethyl)cyclohexyl]methyl]-N-propan-2-ylpropan-1-amine (PubChem CID 65002013) has the molecular formula C14H28BrN and a molecular weight of 290.29 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclohexyl]methyl]-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclohexyl]methyl]-N-propan-2-ylpropan-1-amine
PubChem CID65002013
Molecular FormulaC14H28BrN
Molecular Weight290.29 g/mol
Exact Mass289.14
IUPAC NameN-[[1-(bromomethyl)cyclohexyl]methyl]-N-propan-2-ylpropan-1-amine
SMILESCCCN(CC1(CBr)CCCCC1)C(C)C
InChIInChI=1S/C14H28BrN/c1-4-10-16(13(2)3)12-14(11-15)8-6-5-7-9-14/h13H,4-12H2,1-3H3
InChIKeyYGQSLBZVCAZLMQ-UHFFFAOYSA-N
XLogP4.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[[1-(bromomethyl)cyclohexyl]methyl-propan-2-ylamino]ethanol
CID 65002178
N-propan-2-yl-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]propan-1-amine
CID 63483998
N-[[1-(bromomethyl)cyclopropyl]methyl]-N-propan-2-ylpentan-1-amine
CID 65013731
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-ethylpropan-1-amine
CID 65002069
N-[[1-[[propan-2-yl(propyl)amino]methyl]cyclopentyl]methyl]cyclopropanamine
CID 62263309
2-[[1-(bromomethyl)cyclopropyl]methyl-propan-2-ylamino]ethanol
CID 65013614
N'-[[1-(bromomethyl)cyclohexyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 65002076
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methylpentan-3-amine
CID 65010565
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-ethylethanamine
CID 65010072
3-[[1-(bromomethyl)cyclopropyl]methyl-propan-2-ylamino]propanenitrile
CID 65013729
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 65001962
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 65010133

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclohexyl]methyl]-N-propan-2-ylpropan-1-amine?
The IUPAC name of N-[[1-(bromomethyl)cyclohexyl]methyl]-N-propan-2-ylpropan-1-amine (CID 65002013) is N-[[1-(bromomethyl)cyclohexyl]methyl]-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for N-[[1-(bromomethyl)cyclohexyl]methyl]-N-propan-2-ylpropan-1-amine?
The canonical SMILES for N-[[1-(bromomethyl)cyclohexyl]methyl]-N-propan-2-ylpropan-1-amine is CCCN(CC1(CBr)CCCCC1)C(C)C.
What is the InChIKey of N-[[1-(bromomethyl)cyclohexyl]methyl]-N-propan-2-ylpropan-1-amine?
The InChIKey is YGQSLBZVCAZLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28BrN/c1-4-10-16(13(2)3)12-14(11-15)8-6-5-7-9-14/h13H,4-12H2,1-3H3.
What are the key properties of N-[[1-(bromomethyl)cyclohexyl]methyl]-N-propan-2-ylpropan-1-amine?
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-propan-2-ylpropan-1-amine has a molecular weight of 290.29 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclohexyl]methyl]-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 65002013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).